7-amino-2,3-dimethyl-5-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C18H21N7 — CID 164570747

IUPAC7-amino-2,3-dimethyl-5-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1cccc(C[C@H](C)Nc2nc3c(C)c(C)nn3c(N)c2C#N)n1
InChIInChI=1S/C18H21N7/c1-10-6-5-7-14(21-10)8-11(2)22-17-15(9-19)16(20)25-18(23-17)12(3)13(4)24-25/h5-7,11H,8,20H2,1-4H3,(H,22,23)/t11-/m0/s1
InChIKeyHGCBQQXAYCOYQX-NSHDSACASA-N
MW335.42 g/mol
LogP2.55
Rot. Bonds4

About 7-amino-2,3-dimethyl-5-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-2,3-dimethyl-5-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 164570747) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 7-amino-2,3-dimethyl-5-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-2,3-dimethyl-5-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID164570747
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name7-amino-2,3-dimethyl-5-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1cccc(C[C@H](C)Nc2nc3c(C)c(C)nn3c(N)c2C#N)n1
InChIInChI=1S/C18H21N7/c1-10-6-5-7-14(21-10)8-11(2)22-17-15(9-19)16(20)25-18(23-17)12(3)13(4)24-25/h5-7,11H,8,20H2,1-4H3,(H,22,23)/t11-/m0/s1
InChIKeyHGCBQQXAYCOYQX-NSHDSACASA-N
XLogP2.55
TPSA104.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-amino-2,3-dimethyl-5-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-2,3-dimethyl-5-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-2,3-dimethyl-5-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 164570747) is 7-amino-2,3-dimethyl-5-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-2,3-dimethyl-5-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-2,3-dimethyl-5-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile is Cc1cccc(C[C@H](C)Nc2nc3c(C)c(C)nn3c(N)c2C#N)n1.
What is the InChIKey of 7-amino-2,3-dimethyl-5-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is HGCBQQXAYCOYQX-NSHDSACASA-N. The full InChI is InChI=1S/C18H21N7/c1-10-6-5-7-14(21-10)8-11(2)22-17-15(9-19)16(20)25-18(23-17)12(3)13(4)24-25/h5-7,11H,8,20H2,1-4H3,(H,22,23)/t11-/m0/s1.
What are the key properties of 7-amino-2,3-dimethyl-5-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-2,3-dimethyl-5-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 335.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,3-dimethyl-5-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 164570747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).