[1-amino-3-(1-cyclopropylpiperidin-4-yl)indazol-5-yl]-(furan-2-yl)methanone

C20H22N4O2 — CID 70283696

IUPAC[1-amino-3-(1-cyclopropylpiperidin-4-yl)indazol-5-yl]-(furan-2-yl)methanone
SMILESNn1nc(C2CCN(C3CC3)CC2)c2cc(C(=O)c3ccco3)ccc21
InChIInChI=1S/C20H22N4O2/c21-24-17-6-3-14(20(25)18-2-1-11-26-18)12-16(17)19(22-24)13-7-9-23(10-8-13)15-4-5-15/h1-3,6,11-13,15H,4-5,7-10,21H2
InChIKeyDKXMQOWARIFFHB-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.92
Rot. Bonds4

About [1-amino-3-(1-cyclopropylpiperidin-4-yl)indazol-5-yl]-(furan-2-yl)methanone

[1-amino-3-(1-cyclopropylpiperidin-4-yl)indazol-5-yl]-(furan-2-yl)methanone (PubChem CID 70283696) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [1-amino-3-(1-cyclopropylpiperidin-4-yl)indazol-5-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[1-amino-3-(1-cyclopropylpiperidin-4-yl)indazol-5-yl]-(furan-2-yl)methanone
PubChem CID70283696
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[1-amino-3-(1-cyclopropylpiperidin-4-yl)indazol-5-yl]-(furan-2-yl)methanone
SMILESNn1nc(C2CCN(C3CC3)CC2)c2cc(C(=O)c3ccco3)ccc21
InChIInChI=1S/C20H22N4O2/c21-24-17-6-3-14(20(25)18-2-1-11-26-18)12-16(17)19(22-24)13-7-9-23(10-8-13)15-4-5-15/h1-3,6,11-13,15H,4-5,7-10,21H2
InChIKeyDKXMQOWARIFFHB-UHFFFAOYSA-N
XLogP2.92
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-amino-3-(1-hexylpiperidin-4-yl)-1-benzothiophen-5-yl]-(furan-2-yl)methanone
CID 154449474
N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 86935480
[1-amino-3-(1-hexyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]-(furan-2-yl)methanone
CID 150034407
[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 53192506
3-[2-(azepan-1-yl)ethyl]-6-(furan-2-carbonyl)-1,3-benzothiazol-2-one;hydrochloride
CID 171827386
(6-chloro-3-pyridinyl)-(furan-2-yl)methanone
CID 24723376
N-(2-cyclohexyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)furan-2-carboxamide
CID 666129
(4-chloro-3-methylphenyl)-(furan-2-yl)methanone
CID 91636318
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
(1'-cyclopropyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-(furan-2-yl)methanone
CID 23764734
[4-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]piperidin-1-yl]-(furan-2-yl)methanone
CID 99788962
(4-amino-3,5-dichlorophenyl)-(furan-2-yl)methanone
CID 116609945

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(1-cyclopropylpiperidin-4-yl)indazol-5-yl]-(furan-2-yl)methanone?
The IUPAC name of [1-amino-3-(1-cyclopropylpiperidin-4-yl)indazol-5-yl]-(furan-2-yl)methanone (CID 70283696) is [1-amino-3-(1-cyclopropylpiperidin-4-yl)indazol-5-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [1-amino-3-(1-cyclopropylpiperidin-4-yl)indazol-5-yl]-(furan-2-yl)methanone?
The canonical SMILES for [1-amino-3-(1-cyclopropylpiperidin-4-yl)indazol-5-yl]-(furan-2-yl)methanone is Nn1nc(C2CCN(C3CC3)CC2)c2cc(C(=O)c3ccco3)ccc21.
What is the InChIKey of [1-amino-3-(1-cyclopropylpiperidin-4-yl)indazol-5-yl]-(furan-2-yl)methanone?
The InChIKey is DKXMQOWARIFFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c21-24-17-6-3-14(20(25)18-2-1-11-26-18)12-16(17)19(22-24)13-7-9-23(10-8-13)15-4-5-15/h1-3,6,11-13,15H,4-5,7-10,21H2.
What are the key properties of [1-amino-3-(1-cyclopropylpiperidin-4-yl)indazol-5-yl]-(furan-2-yl)methanone?
[1-amino-3-(1-cyclopropylpiperidin-4-yl)indazol-5-yl]-(furan-2-yl)methanone has a molecular weight of 350.42 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(1-cyclopropylpiperidin-4-yl)indazol-5-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 70283696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).