5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide

C31H30N8O3 — CID 126654094

IUPAC5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
SMILESCc1cccc(NC(=O)C2C3CCC(C3)N2C(=O)Cn2cc(C(N)=O)c3cc(-c4cnc5cc(C)nn5c4)ccc32)n1
InChIInChI=1S/C31H30N8O3/c1-17-4-3-5-26(34-17)35-31(42)29-20-6-8-22(11-20)39(29)28(40)16-37-15-24(30(32)41)23-12-19(7-9-25(23)37)21-13-33-27-10-18(2)36-38(27)14-21/h3-5,7,9-10,12-15,20,22,29H,6,8,11,16H2,1-2H3,(H2,32,41)(H,34,35,42)
InChIKeyLRQLDDGUQBWBTA-UHFFFAOYSA-N
MW562.63 g/mol
LogP3.48
Rot. Bonds6

About 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide

5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide (PubChem CID 126654094) has the molecular formula C31H30N8O3 and a molecular weight of 562.63 g/mol. Its IUPAC name is 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
PubChem CID126654094
Molecular FormulaC31H30N8O3
Molecular Weight562.63 g/mol
Exact Mass562.24
IUPAC Name5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
SMILESCc1cccc(NC(=O)C2C3CCC(C3)N2C(=O)Cn2cc(C(N)=O)c3cc(-c4cnc5cc(C)nn5c4)ccc32)n1
InChIInChI=1S/C31H30N8O3/c1-17-4-3-5-26(34-17)35-31(42)29-20-6-8-22(11-20)39(29)28(40)16-37-15-24(30(32)41)23-12-19(7-9-25(23)37)21-13-33-27-10-18(2)36-38(27)14-21/h3-5,7,9-10,12-15,20,22,29H,6,8,11,16H2,1-2H3,(H2,32,41)(H,34,35,42)
InChIKeyLRQLDDGUQBWBTA-UHFFFAOYSA-N
XLogP3.48
TPSA140.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.63
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide?
The IUPAC name of 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide (CID 126654094) is 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide.
What is the SMILES notation for 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide?
The canonical SMILES for 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide is Cc1cccc(NC(=O)C2C3CCC(C3)N2C(=O)Cn2cc(C(N)=O)c3cc(-c4cnc5cc(C)nn5c4)ccc32)n1.
What is the InChIKey of 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide?
The InChIKey is LRQLDDGUQBWBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N8O3/c1-17-4-3-5-26(34-17)35-31(42)29-20-6-8-22(11-20)39(29)28(40)16-37-15-24(30(32)41)23-12-19(7-9-25(23)37)21-13-33-27-10-18(2)36-38(27)14-21/h3-5,7,9-10,12-15,20,22,29H,6,8,11,16H2,1-2H3,(H2,32,41)(H,34,35,42).
What are the key properties of 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide?
5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide has a molecular weight of 562.63 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1-[2-[3-[(6-methyl-2-pyridinyl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide is sourced from PubChem (CID 126654094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).