(2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide

C18H26N6O2 — CID 155559756

IUPAC(2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)NC1CCCC1
InChIInChI=1S/C18H26N6O2/c1-11(16(25)21-12-6-2-3-7-12)20-18-22-15-14(17(26)23-18)10-19-24(15)13-8-4-5-9-13/h10-13H,2-9H2,1H3,(H,21,25)(H2,20,22,23,26)/t11-/m1/s1
InChIKeyDKXKRZXLJKXXSP-LLVKDONJSA-N
MW358.45 g/mol
LogP2.09
Rot. Bonds5

About (2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide

(2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide (PubChem CID 155559756) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide
PubChem CID155559756
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name(2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)NC1CCCC1
InChIInChI=1S/C18H26N6O2/c1-11(16(25)21-12-6-2-3-7-12)20-18-22-15-14(17(26)23-18)10-19-24(15)13-8-4-5-9-13/h10-13H,2-9H2,1H3,(H,21,25)(H2,20,22,23,26)/t11-/m1/s1
InChIKeyDKXKRZXLJKXXSP-LLVKDONJSA-N
XLogP2.09
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide (CID 155559756) is (2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide is C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)NC1CCCC1.
What is the InChIKey of (2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide?
The InChIKey is DKXKRZXLJKXXSP-LLVKDONJSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-11(16(25)21-12-6-2-3-7-12)20-18-22-15-14(17(26)23-18)10-19-24(15)13-8-4-5-9-13/h10-13H,2-9H2,1H3,(H,21,25)(H2,20,22,23,26)/t11-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide?
(2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide has a molecular weight of 358.45 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide is sourced from PubChem (CID 155559756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).