N-[[(3S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine

C19H24ClN5 — CID 95781713

IUPACN-[[(3S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine
SMILESCCN(C)C[C@@H]1CCN(c2nc3c(Cl)c(C)nn3c3ccccc23)C1
InChIInChI=1S/C19H24ClN5/c1-4-23(3)11-14-9-10-24(12-14)18-15-7-5-6-8-16(15)25-19(21-18)17(20)13(2)22-25/h5-8,14H,4,9-12H2,1-3H3/t14-/m0/s1
InChIKeyXXEDLHIRKOECIU-AWEZNQCLSA-N
MW357.89 g/mol
LogP3.62
Rot. Bonds4

About N-[[(3S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine

N-[[(3S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine (PubChem CID 95781713) has the molecular formula C19H24ClN5 and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[[(3S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[[(3S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine
PubChem CID95781713
Molecular FormulaC19H24ClN5
Molecular Weight357.89 g/mol
Exact Mass357.17
IUPAC NameN-[[(3S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine
SMILESCCN(C)C[C@@H]1CCN(c2nc3c(Cl)c(C)nn3c3ccccc23)C1
InChIInChI=1S/C19H24ClN5/c1-4-23(3)11-14-9-10-24(12-14)18-15-7-5-6-8-16(15)25-19(21-18)17(20)13(2)22-25/h5-8,14H,4,9-12H2,1-3H3/t14-/m0/s1
InChIKeyXXEDLHIRKOECIU-AWEZNQCLSA-N
XLogP3.62
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidine-3-carboxylate
CID 26009155
3-chloro-2-methyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline
CID 43063325
3-chloro-5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]quinazoline
CID 22109194
[1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 24607800
2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 136706838
(2S,4S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 93233854
2,6-bis[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 86806560
2-amino-6-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 24528703
N-methyl-N-[[1-(1,6-naphthyridin-5-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 146142054
5-(azepan-1-yl)-2-methylpyrazolo[1,5-a]quinazoline-3-carbaldehyde
CID 2314079
N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 146128239
N-[[(3S)-1-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]pyrrolidin-3-yl]methyl]-N-methylethanamine
CID 98872965

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine?
The IUPAC name of N-[[(3S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine (CID 95781713) is N-[[(3S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine.
What is the SMILES notation for N-[[(3S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine?
The canonical SMILES for N-[[(3S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine is CCN(C)C[C@@H]1CCN(c2nc3c(Cl)c(C)nn3c3ccccc23)C1.
What is the InChIKey of N-[[(3S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine?
The InChIKey is XXEDLHIRKOECIU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24ClN5/c1-4-23(3)11-14-9-10-24(12-14)18-15-7-5-6-8-16(15)25-19(21-18)17(20)13(2)22-25/h5-8,14H,4,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine?
N-[[(3S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine has a molecular weight of 357.89 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)pyrrolidin-3-yl]methyl]-N-methylethanamine is sourced from PubChem (CID 95781713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).