N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

C23H19F2N7O3 — CID 122638491

IUPACN-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESO=C(Nc1cn(C2CN(C(=O)C3CC3(F)F)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1
InChIInChI=1S/C23H19F2N7O3/c24-23(25)7-15(23)22(34)31-10-14(11-31)32-12-17(20(30-32)16-3-1-2-6-26-16)29-21(33)19-5-4-18(35-19)13-8-27-28-9-13/h1-6,8-9,12,14-15H,7,10-11H2,(H,27,28)(H,29,33)
InChIKeyUFDOEOQKNWNEGU-UHFFFAOYSA-N
MW479.45 g/mol
LogP3.22
Rot. Bonds6

About N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (PubChem CID 122638491) has the molecular formula C23H19F2N7O3 and a molecular weight of 479.45 g/mol. Its IUPAC name is N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
PubChem CID122638491
Molecular FormulaC23H19F2N7O3
Molecular Weight479.45 g/mol
Exact Mass479.15
IUPAC NameN-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
SMILESO=C(Nc1cn(C2CN(C(=O)C3CC3(F)F)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1
InChIInChI=1S/C23H19F2N7O3/c24-23(25)7-15(23)22(34)31-10-14(11-31)32-12-17(20(30-32)16-3-1-2-6-26-16)29-21(33)19-5-4-18(35-19)13-8-27-28-9-13/h1-6,8-9,12,14-15H,7,10-11H2,(H,27,28)(H,29,33)
InChIKeyUFDOEOQKNWNEGU-UHFFFAOYSA-N
XLogP3.22
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (CID 122638491) is N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is O=C(Nc1cn(C2CN(C(=O)C3CC3(F)F)C2)nc1-c1ccccn1)c1ccc(-c2cn[nH]c2)o1.
What is the InChIKey of N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
The InChIKey is UFDOEOQKNWNEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N7O3/c24-23(25)7-15(23)22(34)31-10-14(11-31)32-12-17(20(30-32)16-3-1-2-6-26-16)29-21(33)19-5-4-18(35-19)13-8-27-28-9-13/h1-6,8-9,12,14-15H,7,10-11H2,(H,27,28)(H,29,33).
What are the key properties of N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?
N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide has a molecular weight of 479.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,2-difluorocyclopropanecarbonyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 122638491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).