N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine

C21H17ClFN5 — CID 54669941

IUPACN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3cnn(CC4CC4)c23)ccn1
InChIInChI=1S/C21H17ClFN5/c22-14-3-4-17(23)16(9-14)19-10-15(5-7-24-19)27-18-6-8-25-20-11-26-28(21(18)20)12-13-1-2-13/h3-11,13H,1-2,12H2,(H,24,25,27)
InChIKeyDTHJVLVOUUWXBG-UHFFFAOYSA-N
MW393.85 g/mol
LogP5.44
Rot. Bonds5

About N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine

N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 54669941) has the molecular formula C21H17ClFN5 and a molecular weight of 393.85 g/mol. Its IUPAC name is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine
PubChem CID54669941
Molecular FormulaC21H17ClFN5
Molecular Weight393.85 g/mol
Exact Mass393.12
IUPAC NameN-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3cnn(CC4CC4)c23)ccn1
InChIInChI=1S/C21H17ClFN5/c22-14-3-4-17(23)16(9-14)19-10-15(5-7-24-19)27-18-6-8-25-20-11-26-28(21(18)20)12-13-1-2-13/h3-11,13H,1-2,12H2,(H,24,25,27)
InChIKeyDTHJVLVOUUWXBG-UHFFFAOYSA-N
XLogP5.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.85
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine (CID 54669941) is N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine is Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3cnn(CC4CC4)c23)ccn1.
What is the InChIKey of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is DTHJVLVOUUWXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5/c22-14-3-4-17(23)16(9-14)19-10-15(5-7-24-19)27-18-6-8-25-20-11-26-28(21(18)20)12-13-1-2-13/h3-11,13H,1-2,12H2,(H,24,25,27).
What are the key properties of N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine?
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 393.85 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(cyclopropylmethyl)pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 54669941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).