N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide

C19H19N5O4 — CID 59797281

IUPACN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(CO)C(N)=O)ccc2[nH]nc(/C=C/c3ccncc3)c12
InChIInChI=1S/C19H19N5O4/c1-28-17-12(19(27)22-15(10-25)18(20)26)3-5-14-16(17)13(23-24-14)4-2-11-6-8-21-9-7-11/h2-9,15,25H,10H2,1H3,(H2,20,26)(H,22,27)(H,23,24)/b4-2+
InChIKeyQOIOGSYFHJHXIG-DUXPYHPUSA-N
MW381.39 g/mol
LogP0.71
Rot. Bonds7

About N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide

N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide (PubChem CID 59797281) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide
PubChem CID59797281
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC NameN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC(CO)C(N)=O)ccc2[nH]nc(/C=C/c3ccncc3)c12
InChIInChI=1S/C19H19N5O4/c1-28-17-12(19(27)22-15(10-25)18(20)26)3-5-14-16(17)13(23-24-14)4-2-11-6-8-21-9-7-11/h2-9,15,25H,10H2,1H3,(H2,20,26)(H,22,27)(H,23,24)/b4-2+
InChIKeyQOIOGSYFHJHXIG-DUXPYHPUSA-N
XLogP0.71
TPSA143.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide (CID 59797281) is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide is COc1c(C(=O)NC(CO)C(N)=O)ccc2[nH]nc(/C=C/c3ccncc3)c12.
What is the InChIKey of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide?
The InChIKey is QOIOGSYFHJHXIG-DUXPYHPUSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-28-17-12(19(27)22-15(10-25)18(20)26)3-5-14-16(17)13(23-24-14)4-2-11-6-8-21-9-7-11/h2-9,15,25H,10H2,1H3,(H2,20,26)(H,22,27)(H,23,24)/b4-2+.
What are the key properties of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide?
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 0.71, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 59797281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).