1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine

C24H26ClN5 — CID 25093263

IUPAC1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCc1nn(-c2cc(Cl)cc(CCCN)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12
InChIInChI=1S/C24H26ClN5/c1-16(19-8-4-3-5-9-19)28-24-14-23-22(15-27-24)17(2)29-30(23)21-12-18(7-6-10-26)11-20(25)13-21/h3-5,8-9,11-16H,6-7,10,26H2,1-2H3,(H,27,28)/t16-/m0/s1
InChIKeyUFNNRSRJIBQSIO-INIZCTEOSA-N
MW419.96 g/mol
LogP5.45
Rot. Bonds7

About 1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine

1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 25093263) has the molecular formula C24H26ClN5 and a molecular weight of 419.96 g/mol. Its IUPAC name is 1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
PubChem CID25093263
Molecular FormulaC24H26ClN5
Molecular Weight419.96 g/mol
Exact Mass419.19
IUPAC Name1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine
SMILESCc1nn(-c2cc(Cl)cc(CCCN)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12
InChIInChI=1S/C24H26ClN5/c1-16(19-8-4-3-5-9-19)28-24-14-23-22(15-27-24)17(2)29-30(23)21-12-18(7-6-10-26)11-20(25)13-21/h3-5,8-9,11-16H,6-7,10,26H2,1-2H3,(H,27,28)/t16-/m0/s1
InChIKeyUFNNRSRJIBQSIO-INIZCTEOSA-N
XLogP5.45
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.96
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine (CID 25093263) is 1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine is Cc1nn(-c2cc(Cl)cc(CCCN)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12.
What is the InChIKey of 1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is UFNNRSRJIBQSIO-INIZCTEOSA-N. The full InChI is InChI=1S/C24H26ClN5/c1-16(19-8-4-3-5-9-19)28-24-14-23-22(15-27-24)17(2)29-30(23)21-12-18(7-6-10-26)11-20(25)13-21/h3-5,8-9,11-16H,6-7,10,26H2,1-2H3,(H,27,28)/t16-/m0/s1.
What are the key properties of 1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine?
1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 419.96 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminopropyl)-5-chlorophenyl]-3-methyl-N-[(1S)-1-phenylethyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 25093263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).