(2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide

C15H23N5O — CID 103831926

IUPAC(2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C15H23N5O/c1-4-5-6-13(16)15(21)19-12-7-11-8-18-20(10(2)3)14(11)17-9-12/h7-10,13H,4-6,16H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyNPQYRLCLKGSFNK-ZDUSSCGKSA-N
MW289.38 g/mol
LogP2.47
Rot. Bonds6

About (2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide

(2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide (PubChem CID 103831926) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
PubChem CID103831926
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C15H23N5O/c1-4-5-6-13(16)15(21)19-12-7-11-8-18-20(10(2)3)14(11)17-9-12/h7-10,13H,4-6,16H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyNPQYRLCLKGSFNK-ZDUSSCGKSA-N
XLogP2.47
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pentanamide
CID 61260663
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
CID 27693401
2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 51080497
4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
CID 79204946
1-(3-methylbutyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 51116464
4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
CID 81087136
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 43616552
2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 61259933
1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
CID 65464709
(2S)-2-(carbamoylamino)-3-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 34313702
(2R)-2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 98420908
(2R,6R)-2,6-dimethyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)morpholine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide (CID 103831926) is (2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide is CCCC[C@H](N)C(=O)Nc1cnc2c(cnn2C(C)C)c1.
What is the InChIKey of (2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide?
The InChIKey is NPQYRLCLKGSFNK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-5-6-13(16)15(21)19-12-7-11-8-18-20(10(2)3)14(11)17-9-12/h7-10,13H,4-6,16H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide?
(2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide has a molecular weight of 289.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide is sourced from PubChem (CID 103831926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).