(2S,4S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-4-hydroxypyrrolidine-2-carboxamide

C16H16ClN5O2 — CID 93233854

IUPAC(2S,4S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1nn2c(nc(N3C[C@@H](O)C[C@H]3C(N)=O)c3ccccc32)c1Cl
InChIInChI=1S/C16H16ClN5O2/c1-8-13(17)16-19-15(21-7-9(23)6-12(21)14(18)24)10-4-2-3-5-11(10)22(16)20-8/h2-5,9,12,23H,6-7H2,1H3,(H2,18,24)/t9-,12-/m0/s1
InChIKeyKPHPOIIADJIFBC-CABZTGNLSA-N
MW345.79 g/mol
LogP1.27
Rot. Bonds2

About (2S,4S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-4-hydroxypyrrolidine-2-carboxamide

(2S,4S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 93233854) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is (2S,4S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID93233854
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Name(2S,4S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1nn2c(nc(N3C[C@@H](O)C[C@H]3C(N)=O)c3ccccc32)c1Cl
InChIInChI=1S/C16H16ClN5O2/c1-8-13(17)16-19-15(21-7-9(23)6-12(21)14(18)24)10-4-2-3-5-11(10)22(16)20-8/h2-5,9,12,23H,6-7H2,1H3,(H2,18,24)/t9-,12-/m0/s1
InChIKeyKPHPOIIADJIFBC-CABZTGNLSA-N
XLogP1.27
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-4-hydroxypyrrolidine-2-carboxamide (CID 93233854) is (2S,4S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-4-hydroxypyrrolidine-2-carboxamide is Cc1nn2c(nc(N3C[C@@H](O)C[C@H]3C(N)=O)c3ccccc32)c1Cl.
What is the InChIKey of (2S,4S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is KPHPOIIADJIFBC-CABZTGNLSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-8-13(17)16-19-15(21-7-9(23)6-12(21)14(18)24)10-4-2-3-5-11(10)22(16)20-8/h2-5,9,12,23H,6-7H2,1H3,(H2,18,24)/t9-,12-/m0/s1.
What are the key properties of (2S,4S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-4-hydroxypyrrolidine-2-carboxamide?
(2S,4S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 93233854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).