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

C22H23N7O3 — CID 90683939

IUPAC5-(methoxymethyl)-1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazole-3-carboxamide
SMILESCOCc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)nn1C
InChIInChI=1S/C22H23N7O3/c1-13(2)29-10-18(17-9-24-12-25-21(17)29)20(30)14-5-15(8-23-7-14)26-22(31)19-6-16(11-32-4)28(3)27-19/h5-10,12-13H,11H2,1-4H3,(H,26,31)
InChIKeyNAIOLIDRHRQQFQ-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.77
Rot. Bonds7

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

5-(methoxymethyl)-1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazole-3-carboxamide (PubChem CID 90683939) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazole-3-carboxamide
PubChem CID90683939
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name5-(methoxymethyl)-1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazole-3-carboxamide
SMILESCOCc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)nn1C
InChIInChI=1S/C22H23N7O3/c1-13(2)29-10-18(17-9-24-12-25-21(17)29)20(30)14-5-15(8-23-7-14)26-22(31)19-6-16(11-32-4)28(3)27-19/h5-10,12-13H,11H2,1-4H3,(H,26,31)
InChIKeyNAIOLIDRHRQQFQ-UHFFFAOYSA-N
XLogP2.77
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(methoxymethyl)-1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazole-3-carboxamide (CID 90683939) is 5-(methoxymethyl)-1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazole-3-carboxamide is COCc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)nn1C.
What is the InChIKey of 5-(methoxymethyl)-1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is NAIOLIDRHRQQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-13(2)29-10-18(17-9-24-12-25-21(17)29)20(30)14-5-15(8-23-7-14)26-22(31)19-6-16(11-32-4)28(3)27-19/h5-10,12-13H,11H2,1-4H3,(H,26,31).
What are the key properties of 5-(methoxymethyl)-1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazole-3-carboxamide?
5-(methoxymethyl)-1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 90683939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).