N-hydroxy-2-[2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride

C22H27ClN6O2 — CID 162659127

IUPACN-hydroxy-2-[2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4c[nH]c5ccccc45)C3)CC2)nc1
InChIInChI=1S/C22H26N6O2.ClH/c29-20(26-30)16-11-24-21(25-12-16)28-9-6-22(7-10-28)5-8-27(15-22)14-17-13-23-19-4-2-1-3-18(17)19;/h1-4,11-13,23,30H,5-10,14-15H2,(H,26,29);1H
InChIKeyCLWKBFQPPQNENW-UHFFFAOYSA-N
MW442.95 g/mol
LogP2.99
Rot. Bonds4

About N-hydroxy-2-[2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride

N-hydroxy-2-[2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride (PubChem CID 162659127) has the molecular formula C22H27ClN6O2 and a molecular weight of 442.95 g/mol. Its IUPAC name is N-hydroxy-2-[2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-2-[2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
PubChem CID162659127
Molecular FormulaC22H27ClN6O2
Molecular Weight442.95 g/mol
Exact Mass442.19
IUPAC NameN-hydroxy-2-[2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride
SMILESCl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4c[nH]c5ccccc45)C3)CC2)nc1
InChIInChI=1S/C22H26N6O2.ClH/c29-20(26-30)16-11-24-21(25-12-16)28-9-6-22(7-10-28)5-8-27(15-22)14-17-13-23-19-4-2-1-3-18(17)19;/h1-4,11-13,23,30H,5-10,14-15H2,(H,26,29);1H
InChIKeyCLWKBFQPPQNENW-UHFFFAOYSA-N
XLogP2.99
TPSA97.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Quisinostat
CID 11538455
Nanatinostat
CID 49857317
Quisinostat Hydrochloride
CID 25067557
Pyrrolopyrimidine, 13a
CID 11996316
Psb-KD107
CID 44437220
2-((4,6-Dimethylpyridin-2-yl)amino)-N-(2-(2-methyl-1H-indol-3-yl)ethyl)pyrimidine-5-carboxamide
CID 145996528
3-(1h-Indol-3-Yl)-4-[2-(4-Oxopiperidin-1-Yl)-5-(Trifluoromethyl)pyrimidin-4-Yl]-1h-Pyrrole-2,5-Dione
CID 49817363
3-{[4-(Pyrimidin-2-yl)piperazin-1-yl]methyl}-1h-indole
CID 401019
1-[4-[4-[[4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 11625762
8-fluoro-1-pyrrolidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582565
8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582568
5-(2-Amino-pyrimidin-4-yl)-2-(1-methyl-1H-indol-2-yl)-1Hpyrrole-3-carboxamide
CID 49788707

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-2-[2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride (CID 162659127) is N-hydroxy-2-[2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-2-[2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-2-[2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride is Cl.O=C(NO)c1cnc(N2CCC3(CCN(Cc4c[nH]c5ccccc45)C3)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is CLWKBFQPPQNENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2.ClH/c29-20(26-30)16-11-24-21(25-12-16)28-9-6-22(7-10-28)5-8-27(15-22)14-17-13-23-19-4-2-1-3-18(17)19;/h1-4,11-13,23,30H,5-10,14-15H2,(H,26,29);1H.
What are the key properties of N-hydroxy-2-[2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride?
N-hydroxy-2-[2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 442.95 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-(1H-indol-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 162659127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).