3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one

C22H29N5O — CID 124952390

About 3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one

3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 124952390) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 124952390
• Molecular Formula: C22H29N5O
• Molecular Weight: 379.51 g/mol
• Exact Mass: 379.24
• IUPAC Name: 3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
• SMILES: Cc1cc(Nc2ncccn2)cc([C@@H]2CCN(C(=O)CCC3CCCC3)C2)n1
• InChI: InChI=1S/C22H29N5O/c1-16-13-19(26-22-23-10-4-11-24-22)14-20(25-16)18-9-12-27(15-18)21(28)8-7-17-5-2-3-6-17/h4,10-11,13-14,17-18H,2-3,5-9,12,15H2,1H3,(H,23,24,25,26)/t18-/m1/s1
• InChIKey: DOAKKSYIXSGQTP-GOSISDBHSA-N
• XLogP: 4.21
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.51
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one (CID 124952390) is 3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one is Cc1cc(Nc2ncccn2)cc([C@@H]2CCN(C(=O)CCC3CCCC3)C2)n1.

What is the InChIKey of 3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?

The InChIKey is DOAKKSYIXSGQTP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N5O/c1-16-13-19(26-22-23-10-4-11-24-22)14-20(25-16)18-9-12-27(15-18)21(28)8-7-17-5-2-3-6-17/h4,10-11,13-14,17-18H,2-3,5-9,12,15H2,1H3,(H,23,24,25,26)/t18-/m1/s1.

What are the key properties of 3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?

3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 379.51 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124952390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).