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

C20H19N7O2 — CID 90683926

IUPAC1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazole-2-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3nccn3C)c2)c2cncnc21
InChIInChI=1S/C20H19N7O2/c1-12(2)27-10-16(15-9-22-11-24-18(15)27)17(28)13-6-14(8-21-7-13)25-20(29)19-23-4-5-26(19)3/h4-12H,1-3H3,(H,25,29)
InChIKeySDFZMPSRFZDUBP-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.62
Rot. Bonds5

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

1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazole-2-carboxamide (PubChem CID 90683926) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazole-2-carboxamide
PubChem CID90683926
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazole-2-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3nccn3C)c2)c2cncnc21
InChIInChI=1S/C20H19N7O2/c1-12(2)27-10-16(15-9-22-11-24-18(15)27)17(28)13-6-14(8-21-7-13)25-20(29)19-23-4-5-26(19)3/h4-12H,1-3H3,(H,25,29)
InChIKeySDFZMPSRFZDUBP-UHFFFAOYSA-N
XLogP2.62
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazole-2-carboxamide (CID 90683926) is 1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazole-2-carboxamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)c3nccn3C)c2)c2cncnc21.
What is the InChIKey of 1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazole-2-carboxamide?
The InChIKey is SDFZMPSRFZDUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-12(2)27-10-16(15-9-22-11-24-18(15)27)17(28)13-6-14(8-21-7-13)25-20(29)19-23-4-5-26(19)3/h4-12H,1-3H3,(H,25,29).
What are the key properties of 1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazole-2-carboxamide?
1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazole-2-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.62, 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]imidazole-2-carboxamide is sourced from PubChem (CID 90683926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).