1-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3-phenylpyrrolidin-3-amine

C19H22ClN5 — CID 166267444

IUPAC1-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3-phenylpyrrolidin-3-amine
SMILESCc1nn(C)c2nc(Cl)c(CN3CCC(N)(c4ccccc4)C3)cc12
InChIInChI=1S/C19H22ClN5/c1-13-16-10-14(17(20)22-18(16)24(2)23-13)11-25-9-8-19(21,12-25)15-6-4-3-5-7-15/h3-7,10H,8-9,11-12,21H2,1-2H3
InChIKeyBMPXHDBJJBGRAG-UHFFFAOYSA-N
MW355.87 g/mol
LogP2.99
Rot. Bonds3

About 1-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3-phenylpyrrolidin-3-amine

1-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3-phenylpyrrolidin-3-amine (PubChem CID 166267444) has the molecular formula C19H22ClN5 and a molecular weight of 355.87 g/mol. Its IUPAC name is 1-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3-phenylpyrrolidin-3-amine
PubChem CID166267444
Molecular FormulaC19H22ClN5
Molecular Weight355.87 g/mol
Exact Mass355.16
IUPAC Name1-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3-phenylpyrrolidin-3-amine
SMILESCc1nn(C)c2nc(Cl)c(CN3CCC(N)(c4ccccc4)C3)cc12
InChIInChI=1S/C19H22ClN5/c1-13-16-10-14(17(20)22-18(16)24(2)23-13)11-25-9-8-19(21,12-25)15-6-4-3-5-7-15/h3-7,10H,8-9,11-12,21H2,1-2H3
InChIKeyBMPXHDBJJBGRAG-UHFFFAOYSA-N
XLogP2.99
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
CID 130652726
(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanol
CID 82036391
(1,3,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
CID 82504722
1-(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-methylmethanamine
CID 115595676
1-benzyl-3-(4-chlorophenyl)piperidin-3-amine
CID 130137250
1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine
CID 130137268
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 37025261
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
1-benzyl-4-(4-bromophenyl)piperidin-4-amine
CID 72698436
N-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 47075694
ethyl 4-(3-amino-1-benzylpiperidin-3-yl)benzoate
CID 130407925
(3R)-1-methyl-3-phenylpiperidin-3-amine
CID 89041610

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3-phenylpyrrolidin-3-amine?
The IUPAC name of 1-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3-phenylpyrrolidin-3-amine (CID 166267444) is 1-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3-phenylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3-phenylpyrrolidin-3-amine?
The canonical SMILES for 1-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3-phenylpyrrolidin-3-amine is Cc1nn(C)c2nc(Cl)c(CN3CCC(N)(c4ccccc4)C3)cc12.
What is the InChIKey of 1-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3-phenylpyrrolidin-3-amine?
The InChIKey is BMPXHDBJJBGRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5/c1-13-16-10-14(17(20)22-18(16)24(2)23-13)11-25-9-8-19(21,12-25)15-6-4-3-5-7-15/h3-7,10H,8-9,11-12,21H2,1-2H3.
What are the key properties of 1-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3-phenylpyrrolidin-3-amine?
1-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3-phenylpyrrolidin-3-amine has a molecular weight of 355.87 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3-phenylpyrrolidin-3-amine is sourced from PubChem (CID 166267444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).