6-[1-(1-cyclopropylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C26H35N9O — CID 91758311

IUPAC6-[1-(1-cyclopropylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOC[C@@H]5C)cc4n3C(C)CC3CC3)cn12
InChIInChI=1S/C26H35N9O/c1-15(2)28-24-26-32-31-18(5)34(26)13-21(29-24)25-30-20-12-27-23(33-8-9-36-14-17(33)4)11-22(20)35(25)16(3)10-19-6-7-19/h11-13,15-17,19H,6-10,14H2,1-5H3,(H,28,29)/t16?,17-/m0/s1
InChIKeyCFGOTAZMBODAOY-DJNXLDHESA-N
MW489.63 g/mol
LogP4.25
Rot. Bonds7

About 6-[1-(1-cyclopropylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

6-[1-(1-cyclopropylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 91758311) has the molecular formula C26H35N9O and a molecular weight of 489.63 g/mol. Its IUPAC name is 6-[1-(1-cyclopropylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-[1-(1-cyclopropylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID91758311
Molecular FormulaC26H35N9O
Molecular Weight489.63 g/mol
Exact Mass489.30
IUPAC Name6-[1-(1-cyclopropylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOC[C@@H]5C)cc4n3C(C)CC3CC3)cn12
InChIInChI=1S/C26H35N9O/c1-15(2)28-24-26-32-31-18(5)34(26)13-21(29-24)25-30-20-12-27-23(33-8-9-36-14-17(33)4)11-22(20)35(25)16(3)10-19-6-7-19/h11-13,15-17,19H,6-10,14H2,1-5H3,(H,28,29)/t16?,17-/m0/s1
InChIKeyCFGOTAZMBODAOY-DJNXLDHESA-N
XLogP4.25
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.63
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[1-(1-cyclopropylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-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 6-[1-(1-cyclopropylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 6-[1-(1-cyclopropylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 91758311) is 6-[1-(1-cyclopropylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 6-[1-(1-cyclopropylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 6-[1-(1-cyclopropylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOC[C@@H]5C)cc4n3C(C)CC3CC3)cn12.
What is the InChIKey of 6-[1-(1-cyclopropylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is CFGOTAZMBODAOY-DJNXLDHESA-N. The full InChI is InChI=1S/C26H35N9O/c1-15(2)28-24-26-32-31-18(5)34(26)13-21(29-24)25-30-20-12-27-23(33-8-9-36-14-17(33)4)11-22(20)35(25)16(3)10-19-6-7-19/h11-13,15-17,19H,6-10,14H2,1-5H3,(H,28,29)/t16?,17-/m0/s1.
What are the key properties of 6-[1-(1-cyclopropylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
6-[1-(1-cyclopropylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 489.63 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-cyclopropylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 91758311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).