2-[3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-1-[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile

C24H34N10 — CID 176723573

IUPAC2-[3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-1-[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile
SMILESCN1CCN2CCN(C3(CC#N)CN(c4nc(Nc5cnn(C)c5)ncc4C4CC4)C3)C[C@@H]2C1
InChIInChI=1S/C24H34N10/c1-30-7-8-32-9-10-34(15-20(32)14-30)24(5-6-25)16-33(17-24)22-21(18-3-4-18)12-26-23(29-22)28-19-11-27-31(2)13-19/h11-13,18,20H,3-5,7-10,14-17H2,1-2H3,(H,26,28,29)/t20-/m0/s1
InChIKeyOZSSOBZYCGZMNW-FQEVSTJZSA-N
MW462.61 g/mol
LogP1.24
Rot. Bonds6

About 2-[3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-1-[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile

2-[3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-1-[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile (PubChem CID 176723573) has the molecular formula C24H34N10 and a molecular weight of 462.61 g/mol. Its IUPAC name is 2-[3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-1-[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-1-[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile
PubChem CID176723573
Molecular FormulaC24H34N10
Molecular Weight462.61 g/mol
Exact Mass462.30
IUPAC Name2-[3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-1-[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile
SMILESCN1CCN2CCN(C3(CC#N)CN(c4nc(Nc5cnn(C)c5)ncc4C4CC4)C3)C[C@@H]2C1
InChIInChI=1S/C24H34N10/c1-30-7-8-32-9-10-34(15-20(32)14-30)24(5-6-25)16-33(17-24)22-21(18-3-4-18)12-26-23(29-22)28-19-11-27-31(2)13-19/h11-13,18,20H,3-5,7-10,14-17H2,1-2H3,(H,26,28,29)/t20-/m0/s1
InChIKeyOZSSOBZYCGZMNW-FQEVSTJZSA-N
XLogP1.24
TPSA92.38 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.61
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-1-[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile with MolForge

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Related Compounds

2-[1-[5-Methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-(4-methylpiperazin-1-yl)azetidin-3-yl]acetonitrile
CID 166462615
2-[3-(4-Fluoropiperidin-1-yl)-1-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile
CID 176723459
2-[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile
CID 176723682
2-[1-[2-[(1-Cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-3-[4-(2-fluoroethyl)piperidin-1-yl]azetidin-3-yl]acetonitrile
CID 176723699
2-[1-[2-[(1-Cyclopropylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-3-(4-fluoropiperidin-1-yl)azetidin-3-yl]acetonitrile
CID 176723725
2-[3-[4-(2-Fluoroethyl)piperidin-1-yl]-1-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile
CID 176723757
2-[3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile
CID 176723865
3-[[2-[[1-(1-Tert-butylpiperidin-4-yl)pyrazol-4-yl]amino]-5-cyclopropylpyrimidin-4-yl]amino]propanamide
CID 68621355
4-N-(3-aminopropyl)-2-N-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-5-cyclopropylpyrimidine-2,4-diamine
CID 68621368
4-N-(3-aminopropyl)-5-cyclopropyl-2-N-(1-propan-2-ylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 68622434
3-[[5-Cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propanamide
CID 68624000
4-N-(3-aminopropyl)-5-cyclopropyl-2-N-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 68624009

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-1-[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-1-[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile (CID 176723573) is 2-[3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-1-[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-1-[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-1-[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile is CN1CCN2CCN(C3(CC#N)CN(c4nc(Nc5cnn(C)c5)ncc4C4CC4)C3)C[C@@H]2C1.
What is the InChIKey of 2-[3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-1-[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile?
The InChIKey is OZSSOBZYCGZMNW-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H34N10/c1-30-7-8-32-9-10-34(15-20(32)14-30)24(5-6-25)16-33(17-24)22-21(18-3-4-18)12-26-23(29-22)28-19-11-27-31(2)13-19/h11-13,18,20H,3-5,7-10,14-17H2,1-2H3,(H,26,28,29)/t20-/m0/s1.
What are the key properties of 2-[3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-1-[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile?
2-[3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-1-[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile has a molecular weight of 462.61 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-1-[5-cyclopropyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 176723573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).