(5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C27H39F2N7O — CID 67976610

About (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

(5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67976610) has the molecular formula C27H39F2N7O and a molecular weight of 515.65 g/mol. Its IUPAC name is (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 67976610
• Molecular Formula: C27H39F2N7O
• Molecular Weight: 515.65 g/mol
• Exact Mass: 515.32
• IUPAC Name: (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(C)(C)NCCn1cc(C2CCCC2)nc1C1CCN(c2ncnc3c2[C@H](C(F)F)CC(=O)N3)CC1
• InChI: InChI=1S/C27H39F2N7O/c1-27(2,3)32-10-13-36-15-20(17-6-4-5-7-17)33-25(36)18-8-11-35(12-9-18)26-22-19(23(28)29)14-21(37)34-24(22)30-16-31-26/h15-19,23,32H,4-14H2,1-3H3,(H,30,31,34,37)/t19-/m1/s1
• InChIKey: MHNQSIONGYXYQS-LJQANCHMSA-N
• XLogP: 4.79
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.65
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 67976610) is (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CC(C)(C)NCCn1cc(C2CCCC2)nc1C1CCN(c2ncnc3c2[C@H](C(F)F)CC(=O)N3)CC1.

What is the InChIKey of (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is MHNQSIONGYXYQS-LJQANCHMSA-N. The full InChI is InChI=1S/C27H39F2N7O/c1-27(2,3)32-10-13-36-15-20(17-6-4-5-7-17)33-25(36)18-8-11-35(12-9-18)26-22-19(23(28)29)14-21(37)34-24(22)30-16-31-26/h15-19,23,32H,4-14H2,1-3H3,(H,30,31,34,37)/t19-/m1/s1.

What are the key properties of (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

(5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 515.65 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(difluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67976610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).