2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-8-thiophen-2-yl-3,4-dihydrocyclohepta[d]imidazol-5-amine

C30H23N7OS — CID 145253375

IUPAC2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-8-thiophen-2-yl-3,4-dihydrocyclohepta[d]imidazol-5-amine
SMILESNC1=CC=C(c2cccs2)c2nc(-c3n[nH]c4ccc(-c5cncc(OCc6ccccc6)c5)nc34)[nH]c2C1
InChIInChI=1S/C30H23N7OS/c31-20-8-9-22(26-7-4-12-39-26)27-25(14-20)34-30(35-27)29-28-24(36-37-29)11-10-23(33-28)19-13-21(16-32-15-19)38-17-18-5-2-1-3-6-18/h1-13,15-16H,14,17,31H2,(H,34,35)(H,36,37)
InChIKeyFJDNRBZLGOFKOE-UHFFFAOYSA-N
MW529.63 g/mol
LogP5.88
Rot. Bonds6

About 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-8-thiophen-2-yl-3,4-dihydrocyclohepta[d]imidazol-5-amine

2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-8-thiophen-2-yl-3,4-dihydrocyclohepta[d]imidazol-5-amine (PubChem CID 145253375) has the molecular formula C30H23N7OS and a molecular weight of 529.63 g/mol. Its IUPAC name is 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-8-thiophen-2-yl-3,4-dihydrocyclohepta[d]imidazol-5-amine.

Molecular Properties

Compound Name2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-8-thiophen-2-yl-3,4-dihydrocyclohepta[d]imidazol-5-amine
PubChem CID145253375
Molecular FormulaC30H23N7OS
Molecular Weight529.63 g/mol
Exact Mass529.17
IUPAC Name2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-8-thiophen-2-yl-3,4-dihydrocyclohepta[d]imidazol-5-amine
SMILESNC1=CC=C(c2cccs2)c2nc(-c3n[nH]c4ccc(-c5cncc(OCc6ccccc6)c5)nc34)[nH]c2C1
InChIInChI=1S/C30H23N7OS/c31-20-8-9-22(26-7-4-12-39-26)27-25(14-20)34-30(35-27)29-28-24(36-37-29)11-10-23(33-28)19-13-21(16-32-15-19)38-17-18-5-2-1-3-6-18/h1-13,15-16H,14,17,31H2,(H,34,35)(H,36,37)
InChIKeyFJDNRBZLGOFKOE-UHFFFAOYSA-N
XLogP5.88
TPSA118.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.63
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-8-thiophen-2-yl-3,4-dihydrocyclohepta[d]imidazol-5-amine with MolForge

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Related Compounds

3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137088447
2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
CID 136947326
2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
CID 137109793
5-(5-phenylmethoxy-3-pyridinyl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137115143
1-phenyl-N-[[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137038689
5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137312330
3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137041532
2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridine
CID 137114123
5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137311743
N-[[5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137038678
1-cyclopentyl-N-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137109963
2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
CID 137110248

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-8-thiophen-2-yl-3,4-dihydrocyclohepta[d]imidazol-5-amine?
The IUPAC name of 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-8-thiophen-2-yl-3,4-dihydrocyclohepta[d]imidazol-5-amine (CID 145253375) is 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-8-thiophen-2-yl-3,4-dihydrocyclohepta[d]imidazol-5-amine.
What is the SMILES notation for 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-8-thiophen-2-yl-3,4-dihydrocyclohepta[d]imidazol-5-amine?
The canonical SMILES for 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-8-thiophen-2-yl-3,4-dihydrocyclohepta[d]imidazol-5-amine is NC1=CC=C(c2cccs2)c2nc(-c3n[nH]c4ccc(-c5cncc(OCc6ccccc6)c5)nc34)[nH]c2C1.
What is the InChIKey of 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-8-thiophen-2-yl-3,4-dihydrocyclohepta[d]imidazol-5-amine?
The InChIKey is FJDNRBZLGOFKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N7OS/c31-20-8-9-22(26-7-4-12-39-26)27-25(14-20)34-30(35-27)29-28-24(36-37-29)11-10-23(33-28)19-13-21(16-32-15-19)38-17-18-5-2-1-3-6-18/h1-13,15-16H,14,17,31H2,(H,34,35)(H,36,37).
What are the key properties of 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-8-thiophen-2-yl-3,4-dihydrocyclohepta[d]imidazol-5-amine?
2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-8-thiophen-2-yl-3,4-dihydrocyclohepta[d]imidazol-5-amine has a molecular weight of 529.63 g/mol, XLogP of 5.88, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-8-thiophen-2-yl-3,4-dihydrocyclohepta[d]imidazol-5-amine is sourced from PubChem (CID 145253375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).