N-[4-[6-[[6-[4-[[4-[6-[[2-[2-amino-4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]cyclopentyl]oxan-4-yl]methylamino]-3-chloropyrazin-2-yl]-5-chloro-2-pyridinyl]carbamoyl]oxan-2-yl]-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-5-chloro-2-pyridinyl]piperidine-3-carboxamide

C65H78Cl5N17O7 — CID 123384192

About N-[4-[6-[[6-[4-[[4-[6-[[2-[2-amino-4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]cyclopentyl]oxan-4-yl]methylamino]-3-chloropyrazin-2-yl]-5-chloro-2-pyridinyl]carbamoyl]oxan-2-yl]-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-5-chloro-2-pyridinyl]piperidine-3-carboxamide

N-[4-[6-[[6-[4-[[4-[6-[[2-[2-amino-4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]cyclopentyl]oxan-4-yl]methylamino]-3-chloropyrazin-2-yl]-5-chloro-2-pyridinyl]carbamoyl]oxan-2-yl]-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-5-chloro-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 123384192) has the molecular formula C65H78Cl5N17O7 and a molecular weight of 1386.72 g/mol. Its IUPAC name is N-[4-[6-[[6-[4-[[4-[6-[[2-[2-amino-4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]cyclopentyl]oxan-4-yl]methylamino]-3-chloropyrazin-2-yl]-5-chloro-2-pyridinyl]carbamoyl]oxan-2-yl]-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-5-chloro-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[6-[[6-[4-[[4-[6-[[2-[2-amino-4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]cyclopentyl]oxan-4-yl]methylamino]-3-chloropyrazin-2-yl]-5-chloro-2-pyridinyl]carbamoyl]oxan-2-yl]-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-5-chloro-2-pyridinyl]piperidine-3-carboxamide
• PubChem CID: 123384192
• Molecular Formula: C65H78Cl5N17O7
• Molecular Weight: 1386.72 g/mol
• Exact Mass: 1383.47
• IUPAC Name: N-[4-[6-[[6-[4-[[4-[6-[[2-[2-amino-4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]cyclopentyl]oxan-4-yl]methylamino]-3-chloropyrazin-2-yl]-5-chloro-2-pyridinyl]carbamoyl]oxan-2-yl]-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-5-chloro-2-pyridinyl]piperidine-3-carboxamide
• SMILES: CC1(C)CC(CNc2cncc(-c3cc(NC(=O)C4CCCNC4)ncc3Cl)n2)CC(C2CC(C(=O)Nc3cc(-c4nc(NCC5CCOC(C6CC(C(=O)Nc7cc(-c8nc(NCC9CCOCC9)cnc8Cl)c(Cl)cn7)CC6N)C5)cnc4Cl)c(Cl)cn3)CCO2)O1
• InChI: InChI=1S/C65H78Cl5N17O7/c1-65(2)22-36(25-76-55-31-73-30-48(82-55)40-19-52(77-27-44(40)66)86-63(89)38-4-3-9-72-26-38)15-51(94-65)50-18-37(8-13-93-50)62(88)85-53-20-41(45(67)28-78-53)59-61(70)81-33-57(84-59)75-24-35-7-12-92-49(14-35)43-16-39(17-47(43)71)64(90)87-54-21-42(46(68)29-79-54)58-60(69)80-32-56(83-58)74-23-34-5-10-91-11-6-34/h19-21,27-39,43,47,49-51,72H,3-18,22-26,71H2,1-2H3,(H,74,83)(H,75,84)(H,76,82)(H,77,86,89)(H,78,85,88)(H,79,87,90)
• InChIKey: VWUSPEAFELJBRS-UHFFFAOYSA-N
• XLogP: 10.91
• TPSA: 314.37 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1386.72
LogP ≤ 5	10.91
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[[6-[4-[[4-[6-[[2-[2-amino-4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]cyclopentyl]oxan-4-yl]methylamino]-3-chloropyrazin-2-yl]-5-chloro-2-pyridinyl]carbamoyl]oxan-2-yl]-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-5-chloro-2-pyridinyl]piperidine-3-carboxamide?

The IUPAC name of N-[4-[6-[[6-[4-[[4-[6-[[2-[2-amino-4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]cyclopentyl]oxan-4-yl]methylamino]-3-chloropyrazin-2-yl]-5-chloro-2-pyridinyl]carbamoyl]oxan-2-yl]-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-5-chloro-2-pyridinyl]piperidine-3-carboxamide (CID 123384192) is N-[4-[6-[[6-[4-[[4-[6-[[2-[2-amino-4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]cyclopentyl]oxan-4-yl]methylamino]-3-chloropyrazin-2-yl]-5-chloro-2-pyridinyl]carbamoyl]oxan-2-yl]-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-5-chloro-2-pyridinyl]piperidine-3-carboxamide.

What is the SMILES notation for N-[4-[6-[[6-[4-[[4-[6-[[2-[2-amino-4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]cyclopentyl]oxan-4-yl]methylamino]-3-chloropyrazin-2-yl]-5-chloro-2-pyridinyl]carbamoyl]oxan-2-yl]-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-5-chloro-2-pyridinyl]piperidine-3-carboxamide?

The canonical SMILES for N-[4-[6-[[6-[4-[[4-[6-[[2-[2-amino-4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]cyclopentyl]oxan-4-yl]methylamino]-3-chloropyrazin-2-yl]-5-chloro-2-pyridinyl]carbamoyl]oxan-2-yl]-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-5-chloro-2-pyridinyl]piperidine-3-carboxamide is CC1(C)CC(CNc2cncc(-c3cc(NC(=O)C4CCCNC4)ncc3Cl)n2)CC(C2CC(C(=O)Nc3cc(-c4nc(NCC5CCOC(C6CC(C(=O)Nc7cc(-c8nc(NCC9CCOCC9)cnc8Cl)c(Cl)cn7)CC6N)C5)cnc4Cl)c(Cl)cn3)CCO2)O1.

What is the InChIKey of N-[4-[6-[[6-[4-[[4-[6-[[2-[2-amino-4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]cyclopentyl]oxan-4-yl]methylamino]-3-chloropyrazin-2-yl]-5-chloro-2-pyridinyl]carbamoyl]oxan-2-yl]-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-5-chloro-2-pyridinyl]piperidine-3-carboxamide?

The InChIKey is VWUSPEAFELJBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H78Cl5N17O7/c1-65(2)22-36(25-76-55-31-73-30-48(82-55)40-19-52(77-27-44(40)66)86-63(89)38-4-3-9-72-26-38)15-51(94-65)50-18-37(8-13-93-50)62(88)85-53-20-41(45(67)28-78-53)59-61(70)81-33-57(84-59)75-24-35-7-12-92-49(14-35)43-16-39(17-47(43)71)64(90)87-54-21-42(46(68)29-79-54)58-60(69)80-32-56(83-58)74-23-34-5-10-91-11-6-34/h19-21,27-39,43,47,49-51,72H,3-18,22-26,71H2,1-2H3,(H,74,83)(H,75,84)(H,76,82)(H,77,86,89)(H,78,85,88)(H,79,87,90).

What are the key properties of N-[4-[6-[[6-[4-[[4-[6-[[2-[2-amino-4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]cyclopentyl]oxan-4-yl]methylamino]-3-chloropyrazin-2-yl]-5-chloro-2-pyridinyl]carbamoyl]oxan-2-yl]-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-5-chloro-2-pyridinyl]piperidine-3-carboxamide?

N-[4-[6-[[6-[4-[[4-[6-[[2-[2-amino-4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]cyclopentyl]oxan-4-yl]methylamino]-3-chloropyrazin-2-yl]-5-chloro-2-pyridinyl]carbamoyl]oxan-2-yl]-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-5-chloro-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 1386.72 g/mol, XLogP of 10.91, 20 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-[[6-[4-[[4-[6-[[2-[2-amino-4-[[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]cyclopentyl]oxan-4-yl]methylamino]-3-chloropyrazin-2-yl]-5-chloro-2-pyridinyl]carbamoyl]oxan-2-yl]-2,2-dimethyloxan-4-yl]methylamino]pyrazin-2-yl]-5-chloro-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 123384192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).