(2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C21H27F3N6O — CID 153444603

IUPAC(2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1nc(NCc2cnn(CC3(C(F)(F)F)CC3)c2)cc2c1NC(=O)[C@H](C(C)C)N2C
InChIInChI=1S/C21H27F3N6O/c1-12(2)18-19(31)28-17-13(3)27-16(7-15(17)29(18)4)25-8-14-9-26-30(10-14)11-20(5-6-20)21(22,23)24/h7,9-10,12,18H,5-6,8,11H2,1-4H3,(H,25,27)(H,28,31)/t18-/m0/s1
InChIKeyPNIMINDRIZMGRP-SFHVURJKSA-N
MW436.48 g/mol
LogP3.95
Rot. Bonds6

About (2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one

(2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 153444603) has the molecular formula C21H27F3N6O and a molecular weight of 436.48 g/mol. Its IUPAC name is (2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name(2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID153444603
Molecular FormulaC21H27F3N6O
Molecular Weight436.48 g/mol
Exact Mass436.22
IUPAC Name(2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESCc1nc(NCc2cnn(CC3(C(F)(F)F)CC3)c2)cc2c1NC(=O)[C@H](C(C)C)N2C
InChIInChI=1S/C21H27F3N6O/c1-12(2)18-19(31)28-17-13(3)27-16(7-15(17)29(18)4)25-8-14-9-26-30(10-14)11-20(5-6-20)21(22,23)24/h7,9-10,12,18H,5-6,8,11H2,1-4H3,(H,25,27)(H,28,31)/t18-/m0/s1
InChIKeyPNIMINDRIZMGRP-SFHVURJKSA-N
XLogP3.95
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The IUPAC name of (2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 153444603) is (2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for (2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for (2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one is Cc1nc(NCc2cnn(CC3(C(F)(F)F)CC3)c2)cc2c1NC(=O)[C@H](C(C)C)N2C.
What is the InChIKey of (2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The InChIKey is PNIMINDRIZMGRP-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27F3N6O/c1-12(2)18-19(31)28-17-13(3)27-16(7-15(17)29(18)4)25-8-14-9-26-30(10-14)11-20(5-6-20)21(22,23)24/h7,9-10,12,18H,5-6,8,11H2,1-4H3,(H,25,27)(H,28,31)/t18-/m0/s1.
What are the key properties of (2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
(2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 436.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,5-dimethyl-2-propan-2-yl-7-[[1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 153444603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).