3-methyl-6-[6-morpholin-4-yl-1-[[6-[2-[8-(propan-2-ylamino)-6-[6-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]-2-pyridinyl]methyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C50H55N19O — CID 123633708

IUPAC3-methyl-6-[6-morpholin-4-yl-1-[[6-[2-[8-(propan-2-ylamino)-6-[6-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]-2-pyridinyl]methyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOCC5)cc4n3Cc3cccc(CCc4nnc5c(NC(C)C)nc(-c6nc7cnc(C(C)C)cc7n6Cc6ccccn6)cn45)n3)cn12
InChIInChI=1S/C50H55N19O/c1-29(2)36-21-41-37(23-52-36)59-48(67(41)25-34-11-8-9-16-51-34)40-28-69-43(62-64-50(69)46(58-40)55-31(5)6)15-14-33-12-10-13-35(56-33)26-68-42-22-44(65-17-19-70-20-18-65)53-24-38(42)60-47(68)39-27-66-32(7)61-63-49(66)45(57-39)54-30(3)4/h8-13,16,21-24,27-31H,14-15,17-20,25-26H2,1-7H3,(H,54,57)(H,55,58)
InChIKeyREGZNYYVIIOGAX-UHFFFAOYSA-N
MW938.12 g/mol
LogP6.97
Rot. Bonds15

About 3-methyl-6-[6-morpholin-4-yl-1-[[6-[2-[8-(propan-2-ylamino)-6-[6-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]-2-pyridinyl]methyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-methyl-6-[6-morpholin-4-yl-1-[[6-[2-[8-(propan-2-ylamino)-6-[6-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]-2-pyridinyl]methyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 123633708) has the molecular formula C50H55N19O and a molecular weight of 938.12 g/mol. Its IUPAC name is 3-methyl-6-[6-morpholin-4-yl-1-[[6-[2-[8-(propan-2-ylamino)-6-[6-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]-2-pyridinyl]methyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-methyl-6-[6-morpholin-4-yl-1-[[6-[2-[8-(propan-2-ylamino)-6-[6-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]-2-pyridinyl]methyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID123633708
Molecular FormulaC50H55N19O
Molecular Weight938.12 g/mol
Exact Mass937.48
IUPAC Name3-methyl-6-[6-morpholin-4-yl-1-[[6-[2-[8-(propan-2-ylamino)-6-[6-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]-2-pyridinyl]methyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOCC5)cc4n3Cc3cccc(CCc4nnc5c(NC(C)C)nc(-c6nc7cnc(C(C)C)cc7n6Cc6ccccn6)cn45)n3)cn12
InChIInChI=1S/C50H55N19O/c1-29(2)36-21-41-37(23-52-36)59-48(67(41)25-34-11-8-9-16-51-34)40-28-69-43(62-64-50(69)46(58-40)55-31(5)6)15-14-33-12-10-13-35(56-33)26-68-42-22-44(65-17-19-70-20-18-65)53-24-38(42)60-47(68)39-27-66-32(7)61-63-49(66)45(57-39)54-30(3)4/h8-13,16,21-24,27-31H,14-15,17-20,25-26H2,1-7H3,(H,54,57)(H,55,58)
InChIKeyREGZNYYVIIOGAX-UHFFFAOYSA-N
XLogP6.97
TPSA209.89 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500938.12
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 3-methyl-6-[6-morpholin-4-yl-1-[[6-[2-[8-(propan-2-ylamino)-6-[6-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]-2-pyridinyl]methyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[6-morpholin-4-yl-1-[[6-[2-[8-(propan-2-ylamino)-6-[6-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]-2-pyridinyl]methyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-methyl-6-[6-morpholin-4-yl-1-[[6-[2-[8-(propan-2-ylamino)-6-[6-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]-2-pyridinyl]methyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 123633708) is 3-methyl-6-[6-morpholin-4-yl-1-[[6-[2-[8-(propan-2-ylamino)-6-[6-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]-2-pyridinyl]methyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-methyl-6-[6-morpholin-4-yl-1-[[6-[2-[8-(propan-2-ylamino)-6-[6-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]-2-pyridinyl]methyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-methyl-6-[6-morpholin-4-yl-1-[[6-[2-[8-(propan-2-ylamino)-6-[6-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]-2-pyridinyl]methyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOCC5)cc4n3Cc3cccc(CCc4nnc5c(NC(C)C)nc(-c6nc7cnc(C(C)C)cc7n6Cc6ccccn6)cn45)n3)cn12.
What is the InChIKey of 3-methyl-6-[6-morpholin-4-yl-1-[[6-[2-[8-(propan-2-ylamino)-6-[6-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]-2-pyridinyl]methyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is REGZNYYVIIOGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H55N19O/c1-29(2)36-21-41-37(23-52-36)59-48(67(41)25-34-11-8-9-16-51-34)40-28-69-43(62-64-50(69)46(58-40)55-31(5)6)15-14-33-12-10-13-35(56-33)26-68-42-22-44(65-17-19-70-20-18-65)53-24-38(42)60-47(68)39-27-66-32(7)61-63-49(66)45(57-39)54-30(3)4/h8-13,16,21-24,27-31H,14-15,17-20,25-26H2,1-7H3,(H,54,57)(H,55,58).
What are the key properties of 3-methyl-6-[6-morpholin-4-yl-1-[[6-[2-[8-(propan-2-ylamino)-6-[6-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]-2-pyridinyl]methyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-methyl-6-[6-morpholin-4-yl-1-[[6-[2-[8-(propan-2-ylamino)-6-[6-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]-2-pyridinyl]methyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 938.12 g/mol, XLogP of 6.97, 15 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[6-morpholin-4-yl-1-[[6-[2-[8-(propan-2-ylamino)-6-[6-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl]-2-pyridinyl]methyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 123633708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).