N-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-cyanophenyl)acetamide

C24H21N7O2 — CID 162673963

IUPACN-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-cyanophenyl)acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2c(N)ncnc21
InChIInChI=1S/C24H21N7O2/c1-14(2)31-12-19(21-23(26)28-13-29-24(21)31)22(33)17-8-18(11-27-10-17)30-20(32)7-15-3-5-16(9-25)6-4-15/h3-6,8,10-14H,7H2,1-2H3,(H,30,32)(H2,26,28,29)
InChIKeyAJAJWYFGMGQXPX-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.27
Rot. Bonds6

About N-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-cyanophenyl)acetamide

N-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-cyanophenyl)acetamide (PubChem CID 162673963) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-cyanophenyl)acetamide.

Molecular Properties

Compound NameN-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-cyanophenyl)acetamide
PubChem CID162673963
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC NameN-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-cyanophenyl)acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2c(N)ncnc21
InChIInChI=1S/C24H21N7O2/c1-14(2)31-12-19(21-23(26)28-13-29-24(21)31)22(33)17-8-18(11-27-10-17)30-20(32)7-15-3-5-16(9-25)6-4-15/h3-6,8,10-14H,7H2,1-2H3,(H,30,32)(H2,26,28,29)
InChIKeyAJAJWYFGMGQXPX-UHFFFAOYSA-N
XLogP3.27
TPSA139.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-cyanophenyl)acetamide?
The IUPAC name of N-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-cyanophenyl)acetamide (CID 162673963) is N-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-cyanophenyl)acetamide.
What is the SMILES notation for N-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-cyanophenyl)acetamide?
The canonical SMILES for N-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-cyanophenyl)acetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2c(N)ncnc21.
What is the InChIKey of N-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-cyanophenyl)acetamide?
The InChIKey is AJAJWYFGMGQXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-14(2)31-12-19(21-23(26)28-13-29-24(21)31)22(33)17-8-18(11-27-10-17)30-20(32)7-15-3-5-16(9-25)6-4-15/h3-6,8,10-14H,7H2,1-2H3,(H,30,32)(H2,26,28,29).
What are the key properties of N-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-cyanophenyl)acetamide?
N-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-cyanophenyl)acetamide has a molecular weight of 439.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-cyanophenyl)acetamide is sourced from PubChem (CID 162673963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).