1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C19H22N8 — CID 95891437

IUPAC1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2nc(-c3ccncc3)nc(N[C@@H](C)CCn3cccn3)c12
InChIInChI=1S/C19H22N8/c1-13(7-12-27-11-4-8-21-27)22-18-16-14(2)25-26(3)19(16)24-17(23-18)15-5-9-20-10-6-15/h4-6,8-11,13H,7,12H2,1-3H3,(H,22,23,24)/t13-/m0/s1
InChIKeyBHGCKVPXNCFANQ-ZDUSSCGKSA-N
MW362.44 g/mol
LogP2.82
Rot. Bonds6

About 1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95891437) has the molecular formula C19H22N8 and a molecular weight of 362.44 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95891437
Molecular FormulaC19H22N8
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2nc(-c3ccncc3)nc(N[C@@H](C)CCn3cccn3)c12
InChIInChI=1S/C19H22N8/c1-13(7-12-27-11-4-8-21-27)22-18-16-14(2)25-26(3)19(16)24-17(23-18)15-5-9-20-10-6-15/h4-6,8-11,13H,7,12H2,1-3H3,(H,22,23,24)/t13-/m0/s1
InChIKeyBHGCKVPXNCFANQ-ZDUSSCGKSA-N
XLogP2.82
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70726083
1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95861358
[(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
CID 95870007
1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-6-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95891564
1-methyl-6-pyridin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70726617
N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine
CID 115977889
1,3,6-trimethyl-N-[(1S)-1-thiophen-2-ylbutyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95873901
1,3,6-trimethyl-N-[(1R)-1-thiophen-2-ylbutyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95873902
N,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 95873812
N,1,3-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56907181
1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine
CID 133276695
6-cyclopentyl-1-methyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95725819

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 95891437) is 1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C)c2nc(-c3ccncc3)nc(N[C@@H](C)CCn3cccn3)c12.
What is the InChIKey of 1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BHGCKVPXNCFANQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N8/c1-13(7-12-27-11-4-8-21-27)22-18-16-14(2)25-26(3)19(16)24-17(23-18)15-5-9-20-10-6-15/h4-6,8-11,13H,7,12H2,1-3H3,(H,22,23,24)/t13-/m0/s1.
What are the key properties of 1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 362.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95891437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).