6-ethyl-3-[[3-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide

C60H89N13O6 — CID 163487612

About 6-ethyl-3-[[3-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide

6-ethyl-3-[[3-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide (PubChem CID 163487612) has the molecular formula C60H89N13O6 and a molecular weight of 1088.46 g/mol. Its IUPAC name is 6-ethyl-3-[[3-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 6-ethyl-3-[[3-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
• PubChem CID: 163487612
• Molecular Formula: C60H89N13O6
• Molecular Weight: 1088.46 g/mol
• Exact Mass: 1087.71
• IUPAC Name: 6-ethyl-3-[[3-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide
• SMILES: CCc1nc(C(N)=O)c(Cc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1.CCc1nc(C(N)=O)c(Cc2ccc(N3CCC4(CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1
• InChI: InChI=1S/C30H45N7O3.C30H44N6O3/c1-4-24-30(32-22-9-17-40-18-10-22)34-25(28(33-24)29(31)38)19-21-5-6-26(27(20-21)39-3)37-11-7-23(8-12-37)36-15-13-35(2)14-16-36;1-4-23-29(32-22-7-17-39-18-8-22)34-24(27(33-23)28(31)37)19-21-5-6-25(26(20-21)38-3)36-15-11-30(12-16-36)9-13-35(2)14-10-30/h5-6,20,22-23H,4,7-19H2,1-3H3,(H2,31,38)(H,32,34);5-6,20,22H,4,7-19H2,1-3H3,(H2,31,37)(H,32,34)
• InChIKey: CJWRDRUQOWHGTB-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 214.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1088.46
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[[3-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide?

The IUPAC name of 6-ethyl-3-[[3-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide (CID 163487612) is 6-ethyl-3-[[3-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide.

What is the SMILES notation for 6-ethyl-3-[[3-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide?

The canonical SMILES for 6-ethyl-3-[[3-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide is CCc1nc(C(N)=O)c(Cc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1.CCc1nc(C(N)=O)c(Cc2ccc(N3CCC4(CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1.

What is the InChIKey of 6-ethyl-3-[[3-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide?

The InChIKey is CJWRDRUQOWHGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N7O3.C30H44N6O3/c1-4-24-30(32-22-9-17-40-18-10-22)34-25(28(33-24)29(31)38)19-21-5-6-26(27(20-21)39-3)37-11-7-23(8-12-37)36-15-13-35(2)14-16-36;1-4-23-29(32-22-7-17-39-18-8-22)34-24(27(33-23)28(31)37)19-21-5-6-25(26(20-21)38-3)36-15-11-30(12-16-36)9-13-35(2)14-10-30/h5-6,20,22-23H,4,7-19H2,1-3H3,(H2,31,38)(H,32,34);5-6,20,22H,4,7-19H2,1-3H3,(H2,31,37)(H,32,34).

What are the key properties of 6-ethyl-3-[[3-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide?

6-ethyl-3-[[3-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide has a molecular weight of 1088.46 g/mol, XLogP of 6.18, 17 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-3-[[3-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide;6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]methyl]-5-(oxan-4-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 163487612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).