N-[2-[3-[(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide

About N-[2-[3-[(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide

N-[2-[3-[(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide (PubChem CID 125025582) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[2-[3-[(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound Name	N-[2-[3-[(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide
PubChem CID	125025582
Molecular Formula	C24H31N5O2
Molecular Weight	421.55 g/mol
Exact Mass	421.25
IUPAC Name	N-[2-[3-[(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide
SMILES	O=C(NCCn1nc([C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)c2cccnc21)C1CC1
InChI	InChI=1S/C24H31N5O2/c30-23(17-10-11-17)26-13-15-29-22-20(9-4-12-25-22)21(27-29)19-8-5-14-28(16-19)24(31)18-6-2-1-3-7-18/h1-2,4,9,12,17-19H,3,5-8,10-11,13-16H2,(H,26,30)/t18-,19-/m1/s1
InChIKey	ZNLJWEYIGMCSTC-RTBURBONSA-N
XLogP	3.02
TPSA	80.12 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.55
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide?

The IUPAC name of N-[2-[3-[(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide (CID 125025582) is N-[2-[3-[(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[2-[3-[(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide?

The canonical SMILES for N-[2-[3-[(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide is O=C(NCCn1nc([C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)c2cccnc21)C1CC1.

What is the InChIKey of N-[2-[3-[(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide?

The InChIKey is ZNLJWEYIGMCSTC-RTBURBONSA-N. The full InChI is InChI=1S/C24H31N5O2/c30-23(17-10-11-17)26-13-15-29-22-20(9-4-12-25-22)21(27-29)19-8-5-14-28(16-19)24(31)18-6-2-1-3-7-18/h1-2,4,9,12,17-19H,3,5-8,10-11,13-16H2,(H,26,30)/t18-,19-/m1/s1.

What are the key properties of N-[2-[3-[(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide?

N-[2-[3-[(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 421.55 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[(3R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 125025582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).