N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-indazol-2-ylacetamide

C25H24N8O3 — CID 90683996

IUPACN-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-indazol-2-ylacetamide
SMILESCC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cn3cc4ccccc4n3)c2)c2cnc(N)nc21
InChIInChI=1S/C25H24N8O3/c1-25(2,14-34)33-12-19(18-10-28-24(26)30-23(18)33)22(36)16-7-17(9-27-8-16)29-21(35)13-32-11-15-5-3-4-6-20(15)31-32/h3-12,34H,13-14H2,1-2H3,(H,29,35)(H2,26,28,30)
InChIKeyRFVIOCPZJSCTJC-UHFFFAOYSA-N
MW484.52 g/mol
LogP2.36
Rot. Bonds7

About N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-indazol-2-ylacetamide

N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-indazol-2-ylacetamide (PubChem CID 90683996) has the molecular formula C25H24N8O3 and a molecular weight of 484.52 g/mol. Its IUPAC name is N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-indazol-2-ylacetamide.

Molecular Properties

Compound NameN-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-indazol-2-ylacetamide
PubChem CID90683996
Molecular FormulaC25H24N8O3
Molecular Weight484.52 g/mol
Exact Mass484.20
IUPAC NameN-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-indazol-2-ylacetamide
SMILESCC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cn3cc4ccccc4n3)c2)c2cnc(N)nc21
InChIInChI=1S/C25H24N8O3/c1-25(2,14-34)33-12-19(18-10-28-24(26)30-23(18)33)22(36)16-7-17(9-27-8-16)29-21(35)13-32-11-15-5-3-4-6-20(15)31-32/h3-12,34H,13-14H2,1-2H3,(H,29,35)(H2,26,28,30)
InChIKeyRFVIOCPZJSCTJC-UHFFFAOYSA-N
XLogP2.36
TPSA153.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-indazol-2-ylacetamide?
The IUPAC name of N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-indazol-2-ylacetamide (CID 90683996) is N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-indazol-2-ylacetamide.
What is the SMILES notation for N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-indazol-2-ylacetamide?
The canonical SMILES for N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-indazol-2-ylacetamide is CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cn3cc4ccccc4n3)c2)c2cnc(N)nc21.
What is the InChIKey of N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-indazol-2-ylacetamide?
The InChIKey is RFVIOCPZJSCTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O3/c1-25(2,14-34)33-12-19(18-10-28-24(26)30-23(18)33)22(36)16-7-17(9-27-8-16)29-21(35)13-32-11-15-5-3-4-6-20(15)31-32/h3-12,34H,13-14H2,1-2H3,(H,29,35)(H2,26,28,30).
What are the key properties of N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-indazol-2-ylacetamide?
N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-indazol-2-ylacetamide has a molecular weight of 484.52 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-indazol-2-ylacetamide is sourced from PubChem (CID 90683996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).