3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide

C17H21N7O — CID 121427641

IUPAC3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide
SMILESNC(=O)CC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1
InChIInChI=1S/C17H21N7O/c18-14(25)7-13(10-3-1-2-4-10)24-8-12(16(19)23-24)15-11-5-6-20-17(11)22-9-21-15/h5-6,8-10,13H,1-4,7H2,(H2,18,25)(H2,19,23)(H,20,21,22)
InChIKeyQXURABBPFCIARR-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.01
Rot. Bonds5

About 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide

3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide (PubChem CID 121427641) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide.

Molecular Properties

Compound Name3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide
PubChem CID121427641
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide
SMILESNC(=O)CC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1
InChIInChI=1S/C17H21N7O/c18-14(25)7-13(10-3-1-2-4-10)24-8-12(16(19)23-24)15-11-5-6-20-17(11)22-9-21-15/h5-6,8-10,13H,1-4,7H2,(H2,18,25)(H2,19,23)(H,20,21,22)
InChIKeyQXURABBPFCIARR-UHFFFAOYSA-N
XLogP2.01
TPSA128.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide?
The IUPAC name of 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide (CID 121427641) is 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide.
What is the SMILES notation for 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide?
The canonical SMILES for 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide is NC(=O)CC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(N)n1.
What is the InChIKey of 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide?
The InChIKey is QXURABBPFCIARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c18-14(25)7-13(10-3-1-2-4-10)24-8-12(16(19)23-24)15-11-5-6-20-17(11)22-9-21-15/h5-6,8-10,13H,1-4,7H2,(H2,18,25)(H2,19,23)(H,20,21,22).
What are the key properties of 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide?
3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide has a molecular weight of 339.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]-3-cyclopentylpropanamide is sourced from PubChem (CID 121427641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).