N-[6-[(1-phenylcyclopropyl)carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-2-carboxamide

C22H19N7O2 — CID 144598706

IUPACN-[6-[(1-phenylcyclopropyl)carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cc2[nH]nc(NC(=O)c3ccccn3)c2cn1)NC1(c2ccccc2)CC1
InChIInChI=1S/C22H19N7O2/c30-20(16-8-4-5-11-23-16)26-19-15-13-24-18(12-17(15)28-29-19)25-21(31)27-22(9-10-22)14-6-2-1-3-7-14/h1-8,11-13H,9-10H2,(H2,24,25,27,31)(H2,26,28,29,30)
InChIKeyALEGBJFJZZQWGU-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.42
Rot. Bonds5

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

N-[6-[(1-phenylcyclopropyl)carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-2-carboxamide (PubChem CID 144598706) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-[6-[(1-phenylcyclopropyl)carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(1-phenylcyclopropyl)carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-2-carboxamide
PubChem CID144598706
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC NameN-[6-[(1-phenylcyclopropyl)carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cc2[nH]nc(NC(=O)c3ccccn3)c2cn1)NC1(c2ccccc2)CC1
InChIInChI=1S/C22H19N7O2/c30-20(16-8-4-5-11-23-16)26-19-15-13-24-18(12-17(15)28-29-19)25-21(31)27-22(9-10-22)14-6-2-1-3-7-14/h1-8,11-13H,9-10H2,(H2,24,25,27,31)(H2,26,28,29,30)
InChIKeyALEGBJFJZZQWGU-UHFFFAOYSA-N
XLogP3.42
TPSA124.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(1-phenylcyclopropyl)carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[6-[(1-phenylcyclopropyl)carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-2-carboxamide (CID 144598706) is N-[6-[(1-phenylcyclopropyl)carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-[(1-phenylcyclopropyl)carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-[(1-phenylcyclopropyl)carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-2-carboxamide is O=C(Nc1cc2[nH]nc(NC(=O)c3ccccn3)c2cn1)NC1(c2ccccc2)CC1.
What is the InChIKey of N-[6-[(1-phenylcyclopropyl)carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-2-carboxamide?
The InChIKey is ALEGBJFJZZQWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2/c30-20(16-8-4-5-11-23-16)26-19-15-13-24-18(12-17(15)28-29-19)25-21(31)27-22(9-10-22)14-6-2-1-3-7-14/h1-8,11-13H,9-10H2,(H2,24,25,27,31)(H2,26,28,29,30).
What are the key properties of N-[6-[(1-phenylcyclopropyl)carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-2-carboxamide?
N-[6-[(1-phenylcyclopropyl)carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-2-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1-phenylcyclopropyl)carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 144598706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).