(4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine

C22H23N7 — CID 71253468

IUPAC(4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine
SMILESN[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1
InChIInChI=1S/C22H23N7/c23-16-5-3-10-29(11-8-16)21-7-1-6-18(26-21)22-17-12-19(15-4-2-9-24-13-15)25-14-20(17)27-28-22/h1-2,4,6-7,9,12-14,16H,3,5,8,10-11,23H2,(H,27,28)/t16-/m0/s1
InChIKeyHYWSOTQNDXXXJB-INIZCTEOSA-N
MW385.48 g/mol
LogP3.40
Rot. Bonds3

About (4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine

(4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine (PubChem CID 71253468) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is (4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine.

Molecular Properties

Compound Name(4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine
PubChem CID71253468
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name(4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine
SMILESN[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1
InChIInChI=1S/C22H23N7/c23-16-5-3-10-29(11-8-16)21-7-1-6-18(26-21)22-17-12-19(15-4-2-9-24-13-15)25-14-20(17)27-28-22/h1-2,4,6-7,9,12-14,16H,3,5,8,10-11,23H2,(H,27,28)/t16-/m0/s1
InChIKeyHYWSOTQNDXXXJB-INIZCTEOSA-N
XLogP3.40
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine with MolForge

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Launch Full Analysis

Related Compounds

5-pyridin-3-yl-3-(6-pyrrolidin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71263066
(3R)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-ol
CID 71253766
(4S)-1-[3-bromo-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine
CID 71254143
3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
CID 71253830
1-[3-methyl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
CID 71253612
cis-(1S,3R)-3-[[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]oxy]cyclohexan-1-amine
CID 71253839
(3S)-1-[3-propan-2-yl-6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
CID 71253973
4-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperazine-2-carbaldehyde
CID 174716204
3-[6-(3-aminopiperidin-1-yl)-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridine-5-carbonitrile
CID 71253891
3-(5-bromo-6-piperidin-1-yl-2-pyridinyl)-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
CID 123586407
2-[3-[6-[(3S)-3-aminopiperidin-1-yl]-2-pyridinyl]-1H-pyrazolo[5,4-c]pyridin-5-yl]acetonitrile
CID 71511866
5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253573

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine?
The IUPAC name of (4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine (CID 71253468) is (4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine.
What is the SMILES notation for (4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine?
The canonical SMILES for (4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine is N[C@H]1CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1.
What is the InChIKey of (4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine?
The InChIKey is HYWSOTQNDXXXJB-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23N7/c23-16-5-3-10-29(11-8-16)21-7-1-6-18(26-21)22-17-12-19(15-4-2-9-24-13-15)25-14-20(17)27-28-22/h1-2,4,6-7,9,12-14,16H,3,5,8,10-11,23H2,(H,27,28)/t16-/m0/s1.
What are the key properties of (4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine?
(4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine has a molecular weight of 385.48 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine is sourced from PubChem (CID 71253468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).