8-[8-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

C62H58F2N14O4 — CID 166139913

About 8-[8-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

8-[8-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 166139913) has the molecular formula C62H58F2N14O4 and a molecular weight of 1101.24 g/mol. Its IUPAC name is 8-[8-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 8-[8-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
• PubChem CID: 166139913
• Molecular Formula: C62H58F2N14O4
• Molecular Weight: 1101.24 g/mol
• Exact Mass: 1100.47
• IUPAC Name: 8-[8-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
• SMILES: Oc1cc(-c2ncc3c(N4CCn5ccnc5C4)nc(OCC45CCCN4C(c4cccc6c(-c7ncc8c(N9CCc%10[nH]ncc%10C9)nc(OCC9%10CCCN9CCC%10)nc8c7F)cc(O)cc46)CC5)nc3c2F)c2ccccc2c1
• InChI: InChI=1S/C62H58F2N14O4/c63-51-53(44-27-38(79)25-36-7-1-2-8-40(36)44)66-31-47-56(51)70-60(72-58(47)76-24-23-74-22-17-65-50(74)33-76)82-35-62-15-6-20-78(62)49(11-16-62)42-10-3-9-41-43(42)26-39(80)28-45(41)54-52(64)55-46(30-67-54)57(75-21-12-48-37(32-75)29-68-73-48)71-59(69-55)81-34-61-13-4-18-77(61)19-5-14-61/h1-3,7-10,17,22,25-31,49,79-80H,4-6,11-16,18-21,23-24,32-35H2,(H,68,73)
• InChIKey: CIPOWAXBNNYRAL-UHFFFAOYSA-N
• XLogP: 9.95
• TPSA: 195.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1101.24
LogP ≤ 5	9.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 8-[8-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?

The IUPAC name of 8-[8-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (CID 166139913) is 8-[8-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.

What is the SMILES notation for 8-[8-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?

The canonical SMILES for 8-[8-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is Oc1cc(-c2ncc3c(N4CCn5ccnc5C4)nc(OCC45CCCN4C(c4cccc6c(-c7ncc8c(N9CCc%10[nH]ncc%10C9)nc(OCC9%10CCCN9CCC%10)nc8c7F)cc(O)cc46)CC5)nc3c2F)c2ccccc2c1.

What is the InChIKey of 8-[8-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?

The InChIKey is CIPOWAXBNNYRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H58F2N14O4/c63-51-53(44-27-38(79)25-36-7-1-2-8-40(36)44)66-31-47-56(51)70-60(72-58(47)76-24-23-74-22-17-65-50(74)33-76)82-35-62-15-6-20-78(62)49(11-16-62)42-10-3-9-41-43(42)26-39(80)28-45(41)54-52(64)55-46(30-67-54)57(75-21-12-48-37(32-75)29-68-73-48)71-59(69-55)81-34-61-13-4-18-77(61)19-5-14-61/h1-3,7-10,17,22,25-31,49,79-80H,4-6,11-16,18-21,23-24,32-35H2,(H,68,73).

What are the key properties of 8-[8-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol?

8-[8-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 1101.24 g/mol, XLogP of 9.95, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[8-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]-4-[8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 166139913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).