4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine

C18H23N7 — CID 95867255

IUPAC4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine
SMILESC[C@H]1CN(C)CCCN1c1nc(-c2ccncc2)nc2c1cnn2C
InChIInChI=1S/C18H23N7/c1-13-12-23(2)9-4-10-25(13)18-15-11-20-24(3)17(15)21-16(22-18)14-5-7-19-8-6-14/h5-8,11,13H,4,9-10,12H2,1-3H3/t13-/m0/s1
InChIKeyOOGWTQRXYFHQER-ZDUSSCGKSA-N
MW337.43 g/mol
LogP1.96
Rot. Bonds2

About 4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine

4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine (PubChem CID 95867255) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine
PubChem CID95867255
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine
SMILESC[C@H]1CN(C)CCCN1c1nc(-c2ccncc2)nc2c1cnn2C
InChIInChI=1S/C18H23N7/c1-13-12-23(2)9-4-10-25(13)18-15-11-20-24(3)17(15)21-16(22-18)14-5-7-19-8-6-14/h5-8,11,13H,4,9-10,12H2,1-3H3/t13-/m0/s1
InChIKeyOOGWTQRXYFHQER-ZDUSSCGKSA-N
XLogP1.96
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

(2S)-2-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-5-one
CID 95717258
1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine
CID 95729184
(3S,4S)-1-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol
CID 56905445
2-[(2S)-1-(cyclopropylmethyl)-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
CID 98769620
1-methyl-4-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidine
CID 95730137
2,2-diethyl-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 56882232
2-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol
CID 95871772
7-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 70767539
cyclopropyl-[(3R)-3-[[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]methanone
CID 95724133
N-[3-(azepan-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56909510
6-(2,4-dimethyl-1,4-diazepan-1-yl)-3,5-difluoropyridin-2-amine
CID 114088550
3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
CID 56900542

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine (CID 95867255) is 4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine is C[C@H]1CN(C)CCCN1c1nc(-c2ccncc2)nc2c1cnn2C.
What is the InChIKey of 4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine?
The InChIKey is OOGWTQRXYFHQER-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N7/c1-13-12-23(2)9-4-10-25(13)18-15-11-20-24(3)17(15)21-16(22-18)14-5-7-19-8-6-14/h5-8,11,13H,4,9-10,12H2,1-3H3/t13-/m0/s1.
What are the key properties of 4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine?
4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine has a molecular weight of 337.43 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2,4-dimethyl-1,4-diazepan-1-yl]-1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 95867255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).