N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]furan-2-carboxamide

C20H18N6O3 — CID 118380883

IUPACN-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)c3ccco3)c2cn1)c1ccccc1
InChIInChI=1S/C20H18N6O3/c1-12(13-6-3-2-4-7-13)22-20(28)23-17-10-15-14(11-21-17)18(26-25-15)24-19(27)16-8-5-9-29-16/h2-12H,1H3,(H2,21,22,23,28)(H2,24,25,26,27)/t12-/m1/s1
InChIKeyBTNBUMIVFQILGT-GFCCVEGCSA-N
MW390.40 g/mol
LogP3.69
Rot. Bonds5

About N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]furan-2-carboxamide

N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]furan-2-carboxamide (PubChem CID 118380883) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]furan-2-carboxamide
PubChem CID118380883
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC NameN-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)c3ccco3)c2cn1)c1ccccc1
InChIInChI=1S/C20H18N6O3/c1-12(13-6-3-2-4-7-13)22-20(28)23-17-10-15-14(11-21-17)18(26-25-15)24-19(27)16-8-5-9-29-16/h2-12H,1H3,(H2,21,22,23,28)(H2,24,25,26,27)/t12-/m1/s1
InChIKeyBTNBUMIVFQILGT-GFCCVEGCSA-N
XLogP3.69
TPSA124.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]furan-2-carboxamide (CID 118380883) is N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]furan-2-carboxamide is C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)c3ccco3)c2cn1)c1ccccc1.
What is the InChIKey of N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]furan-2-carboxamide?
The InChIKey is BTNBUMIVFQILGT-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-12(13-6-3-2-4-7-13)22-20(28)23-17-10-15-14(11-21-17)18(26-25-15)24-19(27)16-8-5-9-29-16/h2-12H,1H3,(H2,21,22,23,28)(H2,24,25,26,27)/t12-/m1/s1.
What are the key properties of N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]furan-2-carboxamide?
N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]furan-2-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 118380883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).