2-(4-cyanophenyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide

C25H20N6O3 — CID 70817180

IUPAC2-(4-cyanophenyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide
SMILESN#Cc1ccc(CC(=O)Nc2cncc(C(=O)c3cn(C4(CO)CC4)c4ncncc34)c2)cc1
InChIInChI=1S/C25H20N6O3/c26-9-17-3-1-16(2-4-17)7-22(33)30-19-8-18(10-27-11-19)23(34)21-13-31(25(14-32)5-6-25)24-20(21)12-28-15-29-24/h1-4,8,10-13,15,32H,5-7,14H2,(H,30,33)
InChIKeyHZVSUVLIOQQKBD-UHFFFAOYSA-N
MW452.47 g/mol
LogP2.59
Rot. Bonds7

About 2-(4-cyanophenyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide

2-(4-cyanophenyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide (PubChem CID 70817180) has the molecular formula C25H20N6O3 and a molecular weight of 452.47 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide
PubChem CID70817180
Molecular FormulaC25H20N6O3
Molecular Weight452.47 g/mol
Exact Mass452.16
IUPAC Name2-(4-cyanophenyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide
SMILESN#Cc1ccc(CC(=O)Nc2cncc(C(=O)c3cn(C4(CO)CC4)c4ncncc34)c2)cc1
InChIInChI=1S/C25H20N6O3/c26-9-17-3-1-16(2-4-17)7-22(33)30-19-8-18(10-27-11-19)23(34)21-13-31(25(14-32)5-6-25)24-20(21)12-28-15-29-24/h1-4,8,10-13,15,32H,5-7,14H2,(H,30,33)
InChIKeyHZVSUVLIOQQKBD-UHFFFAOYSA-N
XLogP2.59
TPSA133.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(4-cyanophenyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide with MolForge

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Related Compounds

CID 66571548
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CID 44588117
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CID 70847539
CID 70847539
CID 90683761
CID 90683761
CID 52942091
CID 52942091
CID 52947752
CID 52947752
CID 66571443
CID 66571443
CID 70817744
CID 70817744
CID 90467014
CID 90467014
CID 90683596
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CID 118206508
CID 118206508

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide (CID 70817180) is 2-(4-cyanophenyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide is N#Cc1ccc(CC(=O)Nc2cncc(C(=O)c3cn(C4(CO)CC4)c4ncncc34)c2)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
The InChIKey is HZVSUVLIOQQKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O3/c26-9-17-3-1-16(2-4-17)7-22(33)30-19-8-18(10-27-11-19)23(34)21-13-31(25(14-32)5-6-25)24-20(21)12-28-15-29-24/h1-4,8,10-13,15,32H,5-7,14H2,(H,30,33).
What are the key properties of 2-(4-cyanophenyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
2-(4-cyanophenyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide has a molecular weight of 452.47 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 70817180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).