[4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methanol

C24H27N7O — CID 146252873

IUPAC[4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methanol
SMILESCc1nc2nc(C)c(C[C@@H]3CCN(c4cnc(-c5ccc(CO)cc5)cn4)C3)c(C)n2n1
InChIInChI=1S/C24H27N7O/c1-15-21(16(2)31-24(27-15)28-17(3)29-31)10-19-8-9-30(13-19)23-12-25-22(11-26-23)20-6-4-18(14-32)5-7-20/h4-7,11-12,19,32H,8-10,13-14H2,1-3H3/t19-/m0/s1
InChIKeyPKJWRVVADGBMAR-IBGZPJMESA-N
MW429.53 g/mol
LogP3.07
Rot. Bonds5

About [4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methanol

[4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methanol (PubChem CID 146252873) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is [4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methanol
PubChem CID146252873
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name[4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methanol
SMILESCc1nc2nc(C)c(C[C@@H]3CCN(c4cnc(-c5ccc(CO)cc5)cn4)C3)c(C)n2n1
InChIInChI=1S/C24H27N7O/c1-15-21(16(2)31-24(27-15)28-17(3)29-31)10-19-8-9-30(13-19)23-12-25-22(11-26-23)20-6-4-18(14-32)5-7-20/h4-7,11-12,19,32H,8-10,13-14H2,1-3H3/t19-/m0/s1
InChIKeyPKJWRVVADGBMAR-IBGZPJMESA-N
XLogP3.07
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methanol?
The IUPAC name of [4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methanol (CID 146252873) is [4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methanol?
The canonical SMILES for [4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methanol is Cc1nc2nc(C)c(C[C@@H]3CCN(c4cnc(-c5ccc(CO)cc5)cn4)C3)c(C)n2n1.
What is the InChIKey of [4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methanol?
The InChIKey is PKJWRVVADGBMAR-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27N7O/c1-15-21(16(2)31-24(27-15)28-17(3)29-31)10-19-8-9-30(13-19)23-12-25-22(11-26-23)20-6-4-18(14-32)5-7-20/h4-7,11-12,19,32H,8-10,13-14H2,1-3H3/t19-/m0/s1.
What are the key properties of [4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methanol?
[4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methanol has a molecular weight of 429.53 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methanol is sourced from PubChem (CID 146252873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).