N-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-ylindazole-5-carboxamide

C19H17N7O2 — CID 167254941

IUPACN-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-ylindazole-5-carboxamide
SMILESNc1ccn(CCNC(=O)c2ccc3nn(-c4cccnc4)cc3c2)c(=O)n1
InChIInChI=1S/C19H17N7O2/c20-17-5-8-25(19(28)23-17)9-7-22-18(27)13-3-4-16-14(10-13)12-26(24-16)15-2-1-6-21-11-15/h1-6,8,10-12H,7,9H2,(H,22,27)(H2,20,23,28)
InChIKeyDHJSBQLWEVQRRB-UHFFFAOYSA-N
MW375.39 g/mol
LogP0.99
Rot. Bonds5

About N-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-ylindazole-5-carboxamide

N-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-ylindazole-5-carboxamide (PubChem CID 167254941) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-ylindazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-ylindazole-5-carboxamide
PubChem CID167254941
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC NameN-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-ylindazole-5-carboxamide
SMILESNc1ccn(CCNC(=O)c2ccc3nn(-c4cccnc4)cc3c2)c(=O)n1
InChIInChI=1S/C19H17N7O2/c20-17-5-8-25(19(28)23-17)9-7-22-18(27)13-3-4-16-14(10-13)12-26(24-16)15-2-1-6-21-11-15/h1-6,8,10-12H,7,9H2,(H,22,27)(H2,20,23,28)
InChIKeyDHJSBQLWEVQRRB-UHFFFAOYSA-N
XLogP0.99
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-ylindazole-5-carboxamide?
The IUPAC name of N-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-ylindazole-5-carboxamide (CID 167254941) is N-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-ylindazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-ylindazole-5-carboxamide?
The canonical SMILES for N-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-ylindazole-5-carboxamide is Nc1ccn(CCNC(=O)c2ccc3nn(-c4cccnc4)cc3c2)c(=O)n1.
What is the InChIKey of N-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-ylindazole-5-carboxamide?
The InChIKey is DHJSBQLWEVQRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2/c20-17-5-8-25(19(28)23-17)9-7-22-18(27)13-3-4-16-14(10-13)12-26(24-16)15-2-1-6-21-11-15/h1-6,8,10-12H,7,9H2,(H,22,27)(H2,20,23,28).
What are the key properties of N-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-ylindazole-5-carboxamide?
N-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-ylindazole-5-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-2-oxopyrimidin-1-yl)ethyl]-2-pyridin-3-ylindazole-5-carboxamide is sourced from PubChem (CID 167254941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).