3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine

C19H17ClFN9 — CID 58179982

IUPAC3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine
SMILESNc1ncc(-c2cnn([C@@H]3CCNC3)c2)cc1-c1nnnn1-c1cccc(Cl)c1F
InChIInChI=1S/C19H17ClFN9/c20-15-2-1-3-16(17(15)21)30-19(26-27-28-30)14-6-11(7-24-18(14)22)12-8-25-29(10-12)13-4-5-23-9-13/h1-3,6-8,10,13,23H,4-5,9H2,(H2,22,24)/t13-/m1/s1
InChIKeyHFXQNWRINCAELV-CYBMUJFWSA-N
MW425.86 g/mol
LogP2.50
Rot. Bonds4

About 3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine

3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine (PubChem CID 58179982) has the molecular formula C19H17ClFN9 and a molecular weight of 425.86 g/mol. Its IUPAC name is 3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine
PubChem CID58179982
Molecular FormulaC19H17ClFN9
Molecular Weight425.86 g/mol
Exact Mass425.13
IUPAC Name3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine
SMILESNc1ncc(-c2cnn([C@@H]3CCNC3)c2)cc1-c1nnnn1-c1cccc(Cl)c1F
InChIInChI=1S/C19H17ClFN9/c20-15-2-1-3-16(17(15)21)30-19(26-27-28-30)14-6-11(7-24-18(14)22)12-8-25-29(10-12)13-4-5-23-9-13/h1-3,6-8,10,13,23H,4-5,9H2,(H2,22,24)/t13-/m1/s1
InChIKeyHFXQNWRINCAELV-CYBMUJFWSA-N
XLogP2.50
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.86
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 58180172
5-[1-(azepan-4-yl)pyrazol-4-yl]-3-[1-(2,3-dichlorophenyl)tetrazol-5-yl]pyridin-2-amine
CID 58179911
3-[1-(4-ethyl-2,3-difluorophenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 25260335
3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 25259435
3-[1-[2-fluoro-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]phenyl]tetrazol-5-yl]-5-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyridin-2-amine
CID 58179673
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrazin-2-amine
CID 69030587
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 58180078
1-[4-[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 58179851
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]pyridin-2-amine
CID 66867963
3-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 118110200
5-[1-(6-azaspiro[2.5]octan-8-yl)triazol-4-yl]-3-[1-(2,3-difluorophenyl)tetrazol-5-yl]pyridin-2-amine
CID 58179483
[4-[6-amino-5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-3-ylmethanone
CID 58179540

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine (CID 58179982) is 3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine is Nc1ncc(-c2cnn([C@@H]3CCNC3)c2)cc1-c1nnnn1-c1cccc(Cl)c1F.
What is the InChIKey of 3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine?
The InChIKey is HFXQNWRINCAELV-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17ClFN9/c20-15-2-1-3-16(17(15)21)30-19(26-27-28-30)14-6-11(7-24-18(14)22)12-8-25-29(10-12)13-4-5-23-9-13/h1-3,6-8,10,13,23H,4-5,9H2,(H2,22,24)/t13-/m1/s1.
What are the key properties of 3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine?
3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine has a molecular weight of 425.86 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 58179982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).