4-[7-amino-5-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide

C22H26N6O — CID 134569942

IUPAC4-[7-amino-5-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide
SMILESCc1cc(-c2cnn3c(N)cc(NC4CCCC4)nc23)ccc1C(=O)NC1CC1
InChIInChI=1S/C22H26N6O/c1-13-10-14(6-9-17(13)22(29)26-16-7-8-16)18-12-24-28-19(23)11-20(27-21(18)28)25-15-4-2-3-5-15/h6,9-12,15-16H,2-5,7-8,23H2,1H3,(H,25,27)(H,26,29)
InChIKeyPLQFGMLJFLXDST-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.53
Rot. Bonds5

About 4-[7-amino-5-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide

4-[7-amino-5-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide (PubChem CID 134569942) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-[7-amino-5-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide.

Molecular Properties

Compound Name4-[7-amino-5-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide
PubChem CID134569942
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name4-[7-amino-5-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide
SMILESCc1cc(-c2cnn3c(N)cc(NC4CCCC4)nc23)ccc1C(=O)NC1CC1
InChIInChI=1S/C22H26N6O/c1-13-10-14(6-9-17(13)22(29)26-16-7-8-16)18-12-24-28-19(23)11-20(27-21(18)28)25-15-4-2-3-5-15/h6,9-12,15-16H,2-5,7-8,23H2,1H3,(H,25,27)(H,26,29)
InChIKeyPLQFGMLJFLXDST-UHFFFAOYSA-N
XLogP3.53
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(cyclopentylamino)-7-[[(2S)-oxolan-2-yl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 90176092
4-[5-(cyclopentylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 90176199
N-cyclopropyl-4-[7-(cyclopropylmethylamino)-5-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 90176127
4-[5-amino-7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 137396527
4-[5-(cyclopentylamino)-7-[[4-(hydroxymethyl)-4-bicyclo[5.1.0]oct-1(8)-enyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 144626424
N-cyclopropyl-4-[7-(cyclopropylmethylamino)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 90176188
N-cyclopropyl-2-methyl-4-[7-(oxan-4-ylmethylamino)-5-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 90176149
4-[5-[[(1S)-1-cyclopentyl-2-hydroxyethyl]amino]-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 90176173
4-[7-(cyclohexylmethylamino)-5-[cyclopentyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 137396249
N-cyclopropyl-4-[5-(1,3-dihydroxypropan-2-ylamino)-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 90176150
N-cyclopropyl-4-[5-(2-hydroxypropylamino)-7-(oxolan-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 137395807
N-cyclopropyl-4-[5-[[(2S)-1-hydroxybutan-2-yl]amino]-7-(oxan-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 118458675

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-5-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The IUPAC name of 4-[7-amino-5-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide (CID 134569942) is 4-[7-amino-5-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide.
What is the SMILES notation for 4-[7-amino-5-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The canonical SMILES for 4-[7-amino-5-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide is Cc1cc(-c2cnn3c(N)cc(NC4CCCC4)nc23)ccc1C(=O)NC1CC1.
What is the InChIKey of 4-[7-amino-5-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The InChIKey is PLQFGMLJFLXDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-13-10-14(6-9-17(13)22(29)26-16-7-8-16)18-12-24-28-19(23)11-20(27-21(18)28)25-15-4-2-3-5-15/h6,9-12,15-16H,2-5,7-8,23H2,1H3,(H,25,27)(H,26,29).
What are the key properties of 4-[7-amino-5-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide?
4-[7-amino-5-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide has a molecular weight of 390.49 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-amino-5-(cyclopentylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-N-cyclopropyl-2-methylbenzamide is sourced from PubChem (CID 134569942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).