N-[[6-[1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C24H25N7O3 — CID 90013035

IUPACN-[[6-[1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCn1cc(-c2ccno2)c(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3cnccc3[nH]2)n1
InChIInChI=1S/C24H25N7O3/c1-30-14-17(20-3-7-27-34-20)21(29-30)23(33)31-8-4-24(5-9-31)11-16(24)13-26-22(32)19-10-15-12-25-6-2-18(15)28-19/h2-3,6-7,10,12,14,16,28H,4-5,8-9,11,13H2,1H3,(H,26,32)
InChIKeyDHQGMZRQYZSCLK-UHFFFAOYSA-N
MW459.51 g/mol
LogP2.62
Rot. Bonds5

About N-[[6-[1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[6-[1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 90013035) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[[6-[1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID90013035
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC NameN-[[6-[1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCn1cc(-c2ccno2)c(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3cnccc3[nH]2)n1
InChIInChI=1S/C24H25N7O3/c1-30-14-17(20-3-7-27-34-20)21(29-30)23(33)31-8-4-24(5-9-31)11-16(24)13-26-22(32)19-10-15-12-25-6-2-18(15)28-19/h2-3,6-7,10,12,14,16,28H,4-5,8-9,11,13H2,1H3,(H,26,32)
InChIKeyDHQGMZRQYZSCLK-UHFFFAOYSA-N
XLogP2.62
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[6-[1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 90013035) is N-[[6-[1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is Cn1cc(-c2ccno2)c(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3cnccc3[nH]2)n1.
What is the InChIKey of N-[[6-[1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is DHQGMZRQYZSCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-30-14-17(20-3-7-27-34-20)21(29-30)23(33)31-8-4-24(5-9-31)11-16(24)13-26-22(32)19-10-15-12-25-6-2-18(15)28-19/h2-3,6-7,10,12,14,16,28H,4-5,8-9,11,13H2,1H3,(H,26,32).
What are the key properties of N-[[6-[1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[6-[1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-methyl-4-(1,2-oxazol-5-yl)pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 90013035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).