2-[4-(1-hydroxycyclopentyl)triazol-1-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C24H26N8O3 — CID 90683823

IUPAC2-[4-(1-hydroxycyclopentyl)triazol-1-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(C4(O)CCCC4)nn3)c2)c2cncnc21
InChIInChI=1S/C24H26N8O3/c1-15(2)32-11-19(18-10-26-14-27-23(18)32)22(34)16-7-17(9-25-8-16)28-21(33)13-31-12-20(29-30-31)24(35)5-3-4-6-24/h7-12,14-15,35H,3-6,13H2,1-2H3,(H,28,33)
InChIKeyBHPWAMKRZZQIIU-UHFFFAOYSA-N
MW474.53 g/mol
LogP2.63
Rot. Bonds7

About 2-[4-(1-hydroxycyclopentyl)triazol-1-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-[4-(1-hydroxycyclopentyl)triazol-1-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683823) has the molecular formula C24H26N8O3 and a molecular weight of 474.53 g/mol. Its IUPAC name is 2-[4-(1-hydroxycyclopentyl)triazol-1-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxycyclopentyl)triazol-1-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID90683823
Molecular FormulaC24H26N8O3
Molecular Weight474.53 g/mol
Exact Mass474.21
IUPAC Name2-[4-(1-hydroxycyclopentyl)triazol-1-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(C4(O)CCCC4)nn3)c2)c2cncnc21
InChIInChI=1S/C24H26N8O3/c1-15(2)32-11-19(18-10-26-14-27-23(18)32)22(34)16-7-17(9-25-8-16)28-21(33)13-31-12-20(29-30-31)24(35)5-3-4-6-24/h7-12,14-15,35H,3-6,13H2,1-2H3,(H,28,33)
InChIKeyBHPWAMKRZZQIIU-UHFFFAOYSA-N
XLogP2.63
TPSA140.71 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxycyclopentyl)triazol-1-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[4-(1-hydroxycyclopentyl)triazol-1-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683823) is 2-[4-(1-hydroxycyclopentyl)triazol-1-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-(1-hydroxycyclopentyl)triazol-1-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[4-(1-hydroxycyclopentyl)triazol-1-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)Cn3cc(C4(O)CCCC4)nn3)c2)c2cncnc21.
What is the InChIKey of 2-[4-(1-hydroxycyclopentyl)triazol-1-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is BHPWAMKRZZQIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O3/c1-15(2)32-11-19(18-10-26-14-27-23(18)32)22(34)16-7-17(9-25-8-16)28-21(33)13-31-12-20(29-30-31)24(35)5-3-4-6-24/h7-12,14-15,35H,3-6,13H2,1-2H3,(H,28,33).
What are the key properties of 2-[4-(1-hydroxycyclopentyl)triazol-1-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-[4-(1-hydroxycyclopentyl)triazol-1-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 474.53 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxycyclopentyl)triazol-1-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).