CID 130444088

C19H21ClN6O2 — CID 130444088

IUPAC—
SMILESNc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCCC4(CCC4)C2)NC3=O)ncn1
InChIInChI=1S/C19H21ClN6O2/c20-11-7-12(24-14-8-13(21)22-10-23-14)17(28)26-15(11)16(27)25-19(26)6-2-5-18(9-19)3-1-4-18/h7-8,10H,1-6,9H2,(H,25,27)(H3,21,22,23,24)
InChIKeyHZOPSKZOAHEUAB-UHFFFAOYSA-N
MW400.87 g/mol
LogP2.76
Rot. Bonds2

About CID 130444088

CID 130444088 (PubChem CID 130444088) has the molecular formula C19H21ClN6O2 and a molecular weight of 400.87 g/mol.

Molecular Properties

Compound NameCID 130444088
PubChem CID130444088
Molecular FormulaC19H21ClN6O2
Molecular Weight400.87 g/mol
Exact Mass400.14
IUPAC Name—
SMILESNc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCCC4(CCC4)C2)NC3=O)ncn1
InChIInChI=1S/C19H21ClN6O2/c20-11-7-12(24-14-8-13(21)22-10-23-14)17(28)26-15(11)16(27)25-19(26)6-2-5-18(9-19)3-1-4-18/h7-8,10H,1-6,9H2,(H,25,27)(H3,21,22,23,24)
InChIKeyHZOPSKZOAHEUAB-UHFFFAOYSA-N
XLogP2.76
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

CID 167457399
CID 167457399
6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
CID 118598654
CID 166460731
CID 166460731
8-chloro-6-[(6-methylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118598712
N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione;N-[6-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 163687140
N-[6-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 118598627
6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598796
6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione
CID 118598961
CID 167457384
CID 167457384
8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
CID 118599046
6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-3-methyl-3-(2,2,2-trifluoroethyl)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 163476481
6-[(6-amino-5-fluoropyrimidin-4-yl)amino]-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
CID 118598694

Frequently Asked Questions

What is the IUPAC name of CID 130444088?
The IUPAC name of CID 130444088 (CID 130444088) is not available.
What is the SMILES notation for CID 130444088?
The canonical SMILES for CID 130444088 is Nc1cc(Nc2cc(Cl)c3n(c2=O)C2(CCCC4(CCC4)C2)NC3=O)ncn1.
What is the InChIKey of CID 130444088?
The InChIKey is HZOPSKZOAHEUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O2/c20-11-7-12(24-14-8-13(21)22-10-23-14)17(28)26-15(11)16(27)25-19(26)6-2-5-18(9-19)3-1-4-18/h7-8,10H,1-6,9H2,(H,25,27)(H3,21,22,23,24).
What are the key properties of CID 130444088?
CID 130444088 has a molecular weight of 400.87 g/mol, XLogP of 2.76, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 130444088 is sourced from PubChem (CID 130444088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).