1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]indazole-3-carboxamide

C24H21N7O2 — CID 90683841

IUPAC1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]indazole-3-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3nn(C)c4ccccc34)c2)c2cncnc21
InChIInChI=1S/C24H21N7O2/c1-14(2)31-12-19(18-11-26-13-27-23(18)31)22(32)15-8-16(10-25-9-15)28-24(33)21-17-6-4-5-7-20(17)30(3)29-21/h4-14H,1-3H3,(H,28,33)
InChIKeyPQINJJHNJSLFCG-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.78
Rot. Bonds5

About 1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]indazole-3-carboxamide

1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]indazole-3-carboxamide (PubChem CID 90683841) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]indazole-3-carboxamide
PubChem CID90683841
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]indazole-3-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3nn(C)c4ccccc34)c2)c2cncnc21
InChIInChI=1S/C24H21N7O2/c1-14(2)31-12-19(18-11-26-13-27-23(18)31)22(32)15-8-16(10-25-9-15)28-24(33)21-17-6-4-5-7-20(17)30(3)29-21/h4-14H,1-3H3,(H,28,33)
InChIKeyPQINJJHNJSLFCG-UHFFFAOYSA-N
XLogP3.78
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]indazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]indazole-3-carboxamide (CID 90683841) is 1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]indazole-3-carboxamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)c3nn(C)c4ccccc34)c2)c2cncnc21.
What is the InChIKey of 1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]indazole-3-carboxamide?
The InChIKey is PQINJJHNJSLFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-14(2)31-12-19(18-11-26-13-27-23(18)31)22(32)15-8-16(10-25-9-15)28-24(33)21-17-6-4-5-7-20(17)30(3)29-21/h4-14H,1-3H3,(H,28,33).
What are the key properties of 1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]indazole-3-carboxamide?
1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]indazole-3-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]indazole-3-carboxamide is sourced from PubChem (CID 90683841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).