tert-butyl 2-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

C59H76N16O6 — CID 158937006

About tert-butyl 2-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

tert-butyl 2-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 158937006) has the molecular formula C59H76N16O6 and a molecular weight of 1105.36 g/mol. Its IUPAC name is tert-butyl 2-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: tert-butyl 2-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 158937006
• Molecular Formula: C59H76N16O6
• Molecular Weight: 1105.36 g/mol
• Exact Mass: 1104.61
• IUPAC Name: tert-butyl 2-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
• SMILES: CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC5(CCN(C(=O)OC(C)(C)C)CC5)CC4=O)cn3)nc2n1C1CCCC1.CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC5(CCNCC5)CC4=O)cn3)nc2n1C1CCCC1
• InChI: InChI=1S/C32H42N8O4.C27H34N8O2/c1-31(2,3)44-30(43)38-14-12-32(13-15-38)17-26(41)39(20-32)23-10-11-25(33-19-23)35-29-34-18-21-16-24(28(42)37(4)5)40(27(21)36-29)22-8-6-7-9-22;1-33(2)25(37)21-13-18-15-30-26(32-24(18)35(21)19-5-3-4-6-19)31-22-8-7-20(16-29-22)34-17-27(14-23(34)36)9-11-28-12-10-27/h10-11,16,18-19,22H,6-9,12-15,17,20H2,1-5H3,(H,33,34,35,36);7-8,13,15-16,19,28H,3-6,9-12,14,17H2,1-2H3,(H,29,30,31,32)
• InChIKey: JJTUHIJJSVFNQH-UHFFFAOYSA-N
• XLogP: 8.63
• TPSA: 234.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1105.36
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of tert-butyl 2-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 158937006) is tert-butyl 2-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for tert-butyl 2-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for tert-butyl 2-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC5(CCN(C(=O)OC(C)(C)C)CC5)CC4=O)cn3)nc2n1C1CCCC1.CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC5(CCNCC5)CC4=O)cn3)nc2n1C1CCCC1.

What is the InChIKey of tert-butyl 2-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is JJTUHIJJSVFNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N8O4.C27H34N8O2/c1-31(2,3)44-30(43)38-14-12-32(13-15-38)17-26(41)39(20-32)23-10-11-25(33-19-23)35-29-34-18-21-16-24(28(42)37(4)5)40(27(21)36-29)22-8-6-7-9-22;1-33(2)25(37)21-13-18-15-30-26(32-24(18)35(21)19-5-3-4-6-19)31-22-8-7-20(16-29-22)34-17-27(14-23(34)36)9-11-28-12-10-27/h10-11,16,18-19,22H,6-9,12-15,17,20H2,1-5H3,(H,33,34,35,36);7-8,13,15-16,19,28H,3-6,9-12,14,17H2,1-2H3,(H,29,30,31,32).

What are the key properties of tert-butyl 2-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide?

tert-butyl 2-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 1105.36 g/mol, XLogP of 8.63, 10 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;7-cyclopentyl-N,N-dimethyl-2-[[5-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 158937006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).