(2S)-N-(2,4-dichlorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide

C17H16Cl2N6O — CID 32875848

IUPAC(2S)-N-(2,4-dichlorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCn1ncc2c(N3CCC[C@H]3C(=O)Nc3ccc(Cl)cc3Cl)ncnc21
InChIInChI=1S/C17H16Cl2N6O/c1-24-15-11(8-22-24)16(21-9-20-15)25-6-2-3-14(25)17(26)23-13-5-4-10(18)7-12(13)19/h4-5,7-9,14H,2-3,6H2,1H3,(H,23,26)/t14-/m0/s1
InChIKeyIFBOLEHZOIWEQX-AWEZNQCLSA-N
MW391.26 g/mol
LogP3.28
Rot. Bonds3

About (2S)-N-(2,4-dichlorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide

(2S)-N-(2,4-dichlorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 32875848) has the molecular formula C17H16Cl2N6O and a molecular weight of 391.26 g/mol. Its IUPAC name is (2S)-N-(2,4-dichlorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dichlorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID32875848
Molecular FormulaC17H16Cl2N6O
Molecular Weight391.26 g/mol
Exact Mass390.08
IUPAC Name(2S)-N-(2,4-dichlorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESCn1ncc2c(N3CCC[C@H]3C(=O)Nc3ccc(Cl)cc3Cl)ncnc21
InChIInChI=1S/C17H16Cl2N6O/c1-24-15-11(8-22-24)16(21-9-20-15)25-6-2-3-14(25)17(26)23-13-5-4-10(18)7-12(13)19/h4-5,7-9,14H,2-3,6H2,1H3,(H,23,26)/t14-/m0/s1
InChIKeyIFBOLEHZOIWEQX-AWEZNQCLSA-N
XLogP3.28
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dichlorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,4-dichlorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 32875848) is (2S)-N-(2,4-dichlorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,4-dichlorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,4-dichlorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide is Cn1ncc2c(N3CCC[C@H]3C(=O)Nc3ccc(Cl)cc3Cl)ncnc21.
What is the InChIKey of (2S)-N-(2,4-dichlorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is IFBOLEHZOIWEQX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16Cl2N6O/c1-24-15-11(8-22-24)16(21-9-20-15)25-6-2-3-14(25)17(26)23-13-5-4-10(18)7-12(13)19/h4-5,7-9,14H,2-3,6H2,1H3,(H,23,26)/t14-/m0/s1.
What are the key properties of (2S)-N-(2,4-dichlorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
(2S)-N-(2,4-dichlorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 391.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-dichlorophenyl)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 32875848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).