N-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexyl]prop-2-enamide

C20H24N6O2 — CID 163301497

IUPACN-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexyl]prop-2-enamide
SMILESC=CC(=O)N(C)[C@H]1CCC[C@@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)C1
InChIInChI=1S/C20H24N6O2/c1-4-19(27)25(3)15-6-5-7-16(10-15)28-20-18-8-9-21-26(18)13-17(23-20)14-11-22-24(2)12-14/h4,8-9,11-13,15-16H,1,5-7,10H2,2-3H3/t15-,16+/m0/s1
InChIKeyNYWCWYYJWLUGRT-JKSUJKDBSA-N
MW380.45 g/mol
LogP2.46
Rot. Bonds5

About N-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexyl]prop-2-enamide

N-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexyl]prop-2-enamide (PubChem CID 163301497) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexyl]prop-2-enamide
PubChem CID163301497
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexyl]prop-2-enamide
SMILESC=CC(=O)N(C)[C@H]1CCC[C@@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)C1
InChIInChI=1S/C20H24N6O2/c1-4-19(27)25(3)15-6-5-7-16(10-15)28-20-18-8-9-21-26(18)13-17(23-20)14-11-22-24(2)12-14/h4,8-9,11-13,15-16H,1,5-7,10H2,2-3H3/t15-,16+/m0/s1
InChIKeyNYWCWYYJWLUGRT-JKSUJKDBSA-N
XLogP2.46
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexyl]prop-2-enamide (CID 163301497) is N-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexyl]prop-2-enamide is C=CC(=O)N(C)[C@H]1CCC[C@@H](Oc2nc(-c3cnn(C)c3)cn3nccc23)C1.
What is the InChIKey of N-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexyl]prop-2-enamide?
The InChIKey is NYWCWYYJWLUGRT-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-4-19(27)25(3)15-6-5-7-16(10-15)28-20-18-8-9-21-26(18)13-17(23-20)14-11-22-24(2)12-14/h4,8-9,11-13,15-16H,1,5-7,10H2,2-3H3/t15-,16+/m0/s1.
What are the key properties of N-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexyl]prop-2-enamide?
N-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexyl]prop-2-enamide has a molecular weight of 380.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexyl]prop-2-enamide is sourced from PubChem (CID 163301497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).