N-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane

C90H97FN24O16 — CID 161328772

IUPACN-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane
SMILESC.C.C.CCOC1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccc(F)cn3)n2)C1.O=C(Nc1cn([C@H]2CC[C@@H](O)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=C(Nc1cn([C@H]2CC[C@H](O)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=C(Nc1cn([C@H]2CC[C@H](O)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=CO.O=CO
InChIInChI=1S/C22H21FN6O3.3C21H20N6O3.2CH2O2.3CH4/c1-2-31-16-7-15(8-16)29-12-18(21(28-29)17-4-3-14(23)11-24-17)27-22(30)20-6-5-19(32-20)13-9-25-26-10-13;3*28-15-5-4-14(9-15)27-12-17(20(26-27)16-3-1-2-8-22-16)25-21(29)19-7-6-18(30-19)13-10-23-24-11-13;2*2-1-3;;;/h3-6,9-12,15-16H,2,7-8H2,1H3,(H,25,26)(H,27,30);3*1-3,6-8,10-12,14-15,28H,4-5,9H2,(H,23,24)(H,25,29);2*1H,(H,2,3);3*1H4/t;14-,15+;2*14-,15-;;;;;/m.000...../s1
InChIKeyVLDCMDFUGFAPAR-FHDFCKMDSA-N
MW1789.92 g/mol
LogP15.17
Rot. Bonds22

About N-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane

N-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane (PubChem CID 161328772) has the molecular formula C90H97FN24O16 and a molecular weight of 1789.92 g/mol. Its IUPAC name is N-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane.

Molecular Properties

Compound NameN-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane
PubChem CID161328772
Molecular FormulaC90H97FN24O16
Molecular Weight1789.92 g/mol
Exact Mass1788.75
IUPAC NameN-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane
SMILESC.C.C.CCOC1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccc(F)cn3)n2)C1.O=C(Nc1cn([C@H]2CC[C@@H](O)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=C(Nc1cn([C@H]2CC[C@H](O)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=C(Nc1cn([C@H]2CC[C@H](O)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=CO.O=CO
InChIInChI=1S/C22H21FN6O3.3C21H20N6O3.2CH2O2.3CH4/c1-2-31-16-7-15(8-16)29-12-18(21(28-29)17-4-3-14(23)11-24-17)27-22(30)20-6-5-19(32-20)13-9-25-26-10-13;3*28-15-5-4-14(9-15)27-12-17(20(26-27)16-3-1-2-8-22-16)25-21(29)19-7-6-18(30-19)13-10-23-24-11-13;2*2-1-3;;;/h3-6,9-12,15-16H,2,7-8H2,1H3,(H,25,26)(H,27,30);3*1-3,6-8,10-12,14-15,28H,4-5,9H2,(H,23,24)(H,25,29);2*1H,(H,2,3);3*1H4/t;14-,15+;2*14-,15-;;;;;/m.000...../s1
InChIKeyVLDCMDFUGFAPAR-FHDFCKMDSA-N
XLogP15.17
TPSA551.04 Ų
H-Bond Donors13
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001789.92
LogP ≤ 515.17
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane?
The IUPAC name of N-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane (CID 161328772) is N-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane.
What is the SMILES notation for N-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane?
The canonical SMILES for N-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane is C.C.C.CCOC1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccc(F)cn3)n2)C1.O=C(Nc1cn([C@H]2CC[C@@H](O)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=C(Nc1cn([C@H]2CC[C@H](O)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=C(Nc1cn([C@H]2CC[C@H](O)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.O=CO.O=CO.
What is the InChIKey of N-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane?
The InChIKey is VLDCMDFUGFAPAR-FHDFCKMDSA-N. The full InChI is InChI=1S/C22H21FN6O3.3C21H20N6O3.2CH2O2.3CH4/c1-2-31-16-7-15(8-16)29-12-18(21(28-29)17-4-3-14(23)11-24-17)27-22(30)20-6-5-19(32-20)13-9-25-26-10-13;3*28-15-5-4-14(9-15)27-12-17(20(26-27)16-3-1-2-8-22-16)25-21(29)19-7-6-18(30-19)13-10-23-24-11-13;2*2-1-3;;;/h3-6,9-12,15-16H,2,7-8H2,1H3,(H,25,26)(H,27,30);3*1-3,6-8,10-12,14-15,28H,4-5,9H2,(H,23,24)(H,25,29);2*1H,(H,2,3);3*1H4/t;14-,15+;2*14-,15-;;;;;/m.000...../s1.
What are the key properties of N-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane?
N-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane has a molecular weight of 1789.92 g/mol, XLogP of 15.17, 22 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxycyclobutyl)-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;formic acid;N-[1-[(1S,3R)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;bis(N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);methane is sourced from PubChem (CID 161328772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).