N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]cinnoline-4-carboxamide

C24H19N7O2 — CID 90683884

IUPACN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]cinnoline-4-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnnc4ccccc34)c2)c2cncnc21
InChIInChI=1S/C24H19N7O2/c1-14(2)31-12-20(18-10-26-13-27-23(18)31)22(32)15-7-16(9-25-8-15)29-24(33)19-11-28-30-21-6-4-3-5-17(19)21/h3-14H,1-2H3,(H,29,33)
InChIKeyFWSKSIXCMWAEJR-UHFFFAOYSA-N
MW437.46 g/mol
LogP3.83
Rot. Bonds5

About N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]cinnoline-4-carboxamide

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]cinnoline-4-carboxamide (PubChem CID 90683884) has the molecular formula C24H19N7O2 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]cinnoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]cinnoline-4-carboxamide
PubChem CID90683884
Molecular FormulaC24H19N7O2
Molecular Weight437.46 g/mol
Exact Mass437.16
IUPAC NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]cinnoline-4-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnnc4ccccc34)c2)c2cncnc21
InChIInChI=1S/C24H19N7O2/c1-14(2)31-12-20(18-10-26-13-27-23(18)31)22(32)15-7-16(9-25-8-15)29-24(33)19-11-28-30-21-6-4-3-5-17(19)21/h3-14H,1-2H3,(H,29,33)
InChIKeyFWSKSIXCMWAEJR-UHFFFAOYSA-N
XLogP3.83
TPSA115.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]cinnoline-4-carboxamide?
The IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]cinnoline-4-carboxamide (CID 90683884) is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]cinnoline-4-carboxamide.
What is the SMILES notation for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]cinnoline-4-carboxamide?
The canonical SMILES for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]cinnoline-4-carboxamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnnc4ccccc34)c2)c2cncnc21.
What is the InChIKey of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]cinnoline-4-carboxamide?
The InChIKey is FWSKSIXCMWAEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O2/c1-14(2)31-12-20(18-10-26-13-27-23(18)31)22(32)15-7-16(9-25-8-15)29-24(33)19-11-28-30-21-6-4-3-5-17(19)21/h3-14H,1-2H3,(H,29,33).
What are the key properties of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]cinnoline-4-carboxamide?
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]cinnoline-4-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]cinnoline-4-carboxamide is sourced from PubChem (CID 90683884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).