2-(5-hydroxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C25H22N6O3 — CID 90683683

IUPAC2-(5-hydroxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3c[nH]c4ccc(O)cc34)c2)c2cncnc21
InChIInChI=1S/C25H22N6O3/c1-14(2)31-12-21(20-11-27-13-29-25(20)31)24(34)16-5-17(10-26-8-16)30-23(33)6-15-9-28-22-4-3-18(32)7-19(15)22/h3-5,7-14,28,32H,6H2,1-2H3,(H,30,33)
InChIKeyNBPNNUQJJYMFPP-UHFFFAOYSA-N
MW454.49 g/mol
LogP4.01
Rot. Bonds6

About 2-(5-hydroxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-(5-hydroxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683683) has the molecular formula C25H22N6O3 and a molecular weight of 454.49 g/mol. Its IUPAC name is 2-(5-hydroxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(5-hydroxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683683
Molecular FormulaC25H22N6O3
Molecular Weight454.49 g/mol
Exact Mass454.18
IUPAC Name2-(5-hydroxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3c[nH]c4ccc(O)cc34)c2)c2cncnc21
InChIInChI=1S/C25H22N6O3/c1-14(2)31-12-21(20-11-27-13-29-25(20)31)24(34)16-5-17(10-26-8-16)30-23(33)6-15-9-28-22-4-3-18(32)7-19(15)22/h3-5,7-14,28,32H,6H2,1-2H3,(H,30,33)
InChIKeyNBPNNUQJJYMFPP-UHFFFAOYSA-N
XLogP4.01
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(5-hydroxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683683) is 2-(5-hydroxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(5-hydroxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(5-hydroxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3c[nH]c4ccc(O)cc34)c2)c2cncnc21.
What is the InChIKey of 2-(5-hydroxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is NBPNNUQJJYMFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3/c1-14(2)31-12-21(20-11-27-13-29-25(20)31)24(34)16-5-17(10-26-8-16)30-23(33)6-15-9-28-22-4-3-18(32)7-19(15)22/h3-5,7-14,28,32H,6H2,1-2H3,(H,30,33).
What are the key properties of 2-(5-hydroxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(5-hydroxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 454.49 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-1H-indol-3-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).