4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide

C19H23N5O3 — CID 72866097

IUPAC4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)N1CCN(Cc2ccoc2)C(CCO)C1
InChIInChI=1S/C19H23N5O3/c25-7-3-17-12-24(6-5-23(17)11-14-4-8-27-13-14)19(26)21-16-1-2-18-15(9-16)10-20-22-18/h1-2,4,8-10,13,17,25H,3,5-7,11-12H2,(H,20,22)(H,21,26)
InChIKeyGAAJRJRKTIEUAY-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.26
Rot. Bonds5

About 4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide

4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide (PubChem CID 72866097) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide
PubChem CID72866097
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)N1CCN(Cc2ccoc2)C(CCO)C1
InChIInChI=1S/C19H23N5O3/c25-7-3-17-12-24(6-5-23(17)11-14-4-8-27-13-14)19(26)21-16-1-2-18-15(9-16)10-20-22-18/h1-2,4,8-10,13,17,25H,3,5-7,11-12H2,(H,20,22)(H,21,26)
InChIKeyGAAJRJRKTIEUAY-UHFFFAOYSA-N
XLogP2.26
TPSA97.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97454764
3-amino-N-(1H-indazol-5-yl)piperidine-1-carboxamide;hydrochloride
CID 171686977
6-[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 72846969
[4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72841560
[(3S)-4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-(1-methylindol-6-yl)methanone
CID 97205546
N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72879757
(3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
CID 97435879
2-hydroxyethyl N-(1H-indazol-5-yl)carbamate
CID 79346712
4-hydroxy-N-(1H-indazol-5-yl)butanamide
CID 79200157
4-(1,3-benzodioxol-5-ylmethyl)-N-(1H-indazol-6-yl)piperazine-1-carboxamide
CID 72850721
(2R)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 124606314
(2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 124606315

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide (CID 72866097) is 4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide is O=C(Nc1ccc2[nH]ncc2c1)N1CCN(Cc2ccoc2)C(CCO)C1.
What is the InChIKey of 4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide?
The InChIKey is GAAJRJRKTIEUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-7-3-17-12-24(6-5-23(17)11-14-4-8-27-13-14)19(26)21-16-1-2-18-15(9-16)10-20-22-18/h1-2,4,8-10,13,17,25H,3,5-7,11-12H2,(H,20,22)(H,21,26).
What are the key properties of 4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide?
4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-ylmethyl)-3-(2-hydroxyethyl)-N-(1H-indazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 72866097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).