N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide

C12H14N4O — CID 43616552

IUPACN-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C12H14N4O/c1-4-11(17)15-10-5-9-6-14-16(8(2)3)12(9)13-7-10/h4-8H,1H2,2-3H3,(H,15,17)
InChIKeyUIEBLTSRDDTHMK-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.14
Rot. Bonds3

About N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide

N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide (PubChem CID 43616552) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
PubChem CID43616552
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C12H14N4O/c1-4-11(17)15-10-5-9-6-14-16(8(2)3)12(9)13-7-10/h4-8H,1H2,2-3H3,(H,15,17)
InChIKeyUIEBLTSRDDTHMK-UHFFFAOYSA-N
XLogP2.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
CID 27693401
4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
CID 79204946
2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 51080497
(E)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 24516256
1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
CID 65464709
4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
CID 81087136
1-(3-methylbutyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 51116464
2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 61259933
(1S)-2,2-dichloro-1-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
CID 97236813
2,2-dichloro-1-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
CID 51256221
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperidine-4-carboxamide
CID 61258310
(2S,3S)-2-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pentanamide
CID 61260663

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide?
The IUPAC name of N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide (CID 43616552) is N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide.
What is the SMILES notation for N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide?
The canonical SMILES for N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide is C=CC(=O)Nc1cnc2c(cnn2C(C)C)c1.
What is the InChIKey of N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide?
The InChIKey is UIEBLTSRDDTHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-4-11(17)15-10-5-9-6-14-16(8(2)3)12(9)13-7-10/h4-8H,1H2,2-3H3,(H,15,17).
What are the key properties of N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide?
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide has a molecular weight of 230.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide is sourced from PubChem (CID 43616552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).