7-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C26H35N7O2 — CID 58315435

IUPAC7-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCC(CCO)CC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C26H35N7O2/c1-31(2)25(35)22-15-19-16-28-26(30-24(19)33(22)20-5-3-4-6-20)29-23-8-7-21(17-27-23)32-12-9-18(10-13-32)11-14-34/h7-8,15-18,20,34H,3-6,9-14H2,1-2H3,(H,27,28,29,30)
InChIKeyRACWEUJOKLUZLV-UHFFFAOYSA-N
MW477.61 g/mol
LogP3.99
Rot. Bonds7

About 7-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 58315435) has the molecular formula C26H35N7O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID58315435
Molecular FormulaC26H35N7O2
Molecular Weight477.61 g/mol
Exact Mass477.29
IUPAC Name7-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCC(CCO)CC4)cn3)nc2n1C1CCCC1
InChIInChI=1S/C26H35N7O2/c1-31(2)25(35)22-15-19-16-28-26(30-24(19)33(22)20-5-3-4-6-20)29-23-8-7-21(17-27-23)32-12-9-18(10-13-32)11-14-34/h7-8,15-18,20,34H,3-6,9-14H2,1-2H3,(H,27,28,29,30)
InChIKeyRACWEUJOKLUZLV-UHFFFAOYSA-N
XLogP3.99
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 58315435) is 7-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCC(CCO)CC4)cn3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is RACWEUJOKLUZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O2/c1-31(2)25(35)22-15-19-16-28-26(30-24(19)33(22)20-5-3-4-6-20)29-23-8-7-21(17-27-23)32-12-9-18(10-13-32)11-14-34/h7-8,15-18,20,34H,3-6,9-14H2,1-2H3,(H,27,28,29,30).
What are the key properties of 7-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[[5-[4-(2-hydroxyethyl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 58315435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).