tert-butyl 2-(6-amino-3-pyridinyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;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;2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C64H85ClN16O8 — CID 158727933

About tert-butyl 2-(6-amino-3-pyridinyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;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;2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

tert-butyl 2-(6-amino-3-pyridinyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;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;2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 158727933) has the molecular formula C64H85ClN16O8 and a molecular weight of 1241.94 g/mol. Its IUPAC name is tert-butyl 2-(6-amino-3-pyridinyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;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;2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: tert-butyl 2-(6-amino-3-pyridinyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;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;2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 158727933
• Molecular Formula: C64H85ClN16O8
• Molecular Weight: 1241.94 g/mol
• Exact Mass: 1240.64
• IUPAC Name: tert-butyl 2-(6-amino-3-pyridinyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;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;2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)N(c1ccc(N)nc1)C2.CN(C)C(=O)c1cc2cnc(Cl)nc2n1C1CCCC1.CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC5(CCN(C(=O)OC(C)(C)C)CC5)CC4=O)cn3)nc2n1C1CCCC1
• InChI: InChI=1S/C32H42N8O4.C18H26N4O3.C14H17ClN4O/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;1-17(2,3)25-16(24)21-8-6-18(7-9-21)10-15(23)22(12-18)13-4-5-14(19)20-11-13;1-18(2)13(20)11-7-9-8-16-14(15)17-12(9)19(11)10-5-3-4-6-10/h10-11,16,18-19,22H,6-9,12-15,17,20H2,1-5H3,(H,33,34,35,36);4-5,11H,6-10,12H2,1-3H3,(H2,19,20);7-8,10H,3-6H2,1-2H3
• InChIKey: IKSWYVUERDUCRV-UHFFFAOYSA-N
• XLogP: 10.46
• TPSA: 265.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1241.94
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(6-amino-3-pyridinyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;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;2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of tert-butyl 2-(6-amino-3-pyridinyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;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;2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 158727933) is tert-butyl 2-(6-amino-3-pyridinyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;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;2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for tert-butyl 2-(6-amino-3-pyridinyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;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;2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for tert-butyl 2-(6-amino-3-pyridinyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;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;2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)N(c1ccc(N)nc1)C2.CN(C)C(=O)c1cc2cnc(Cl)nc2n1C1CCCC1.CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC5(CCN(C(=O)OC(C)(C)C)CC5)CC4=O)cn3)nc2n1C1CCCC1.

What is the InChIKey of tert-butyl 2-(6-amino-3-pyridinyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;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;2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is IKSWYVUERDUCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N8O4.C18H26N4O3.C14H17ClN4O/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;1-17(2,3)25-16(24)21-8-6-18(7-9-21)10-15(23)22(12-18)13-4-5-14(19)20-11-13;1-18(2)13(20)11-7-9-8-16-14(15)17-12(9)19(11)10-5-3-4-6-10/h10-11,16,18-19,22H,6-9,12-15,17,20H2,1-5H3,(H,33,34,35,36);4-5,11H,6-10,12H2,1-3H3,(H2,19,20);7-8,10H,3-6H2,1-2H3.

What are the key properties of tert-butyl 2-(6-amino-3-pyridinyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;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;2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

tert-butyl 2-(6-amino-3-pyridinyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;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;2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 1241.94 g/mol, XLogP of 10.46, 8 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-(6-amino-3-pyridinyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;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;2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 158727933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).