3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine

C20H23FN6 — CID 146424750

IUPAC3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
SMILESCN1CCC(n2cc(-c3cnc(N)c(-c4ccc(N)cc4F)c3)cn2)CC1
InChIInChI=1S/C20H23FN6/c1-26-6-4-16(5-7-26)27-12-14(11-25-27)13-8-18(20(23)24-10-13)17-3-2-15(22)9-19(17)21/h2-3,8-12,16H,4-7,22H2,1H3,(H2,23,24)
InChIKeyICASIFZZJPWDLV-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.18
Rot. Bonds3

About 3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine

3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 146424750) has the molecular formula C20H23FN6 and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
PubChem CID146424750
Molecular FormulaC20H23FN6
Molecular Weight366.44 g/mol
Exact Mass366.20
IUPAC Name3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
SMILESCN1CCC(n2cc(-c3cnc(N)c(-c4ccc(N)cc4F)c3)cn2)CC1
InChIInChI=1S/C20H23FN6/c1-26-6-4-16(5-7-26)27-12-14(11-25-27)13-8-18(20(23)24-10-13)17-3-2-15(22)9-19(17)21/h2-3,8-12,16H,4-7,22H2,1H3,(H2,23,24)
InChIKeyICASIFZZJPWDLV-UHFFFAOYSA-N
XLogP3.18
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate
CID 146424723
3-(6-fluoro-1,3-benzoxazol-2-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 67388618
3-[1-(3-chloro-2-fluorophenyl)tetrazol-5-yl]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 58180172
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid
CID 67388257
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride
CID 67388256
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 58180078
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine;ethane;propane
CID 155591061
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-(5-chloro-8-fluoroisoquinolin-3-yl)-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]pyridin-2-amine;dihydrochloride
CID 87431176
3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine
CID 121241474
4-[4-(4-bromophenyl)pyrazol-1-yl]-1-methylpiperidine
CID 170835984
3-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-5-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyridin-2-amine
CID 58179734

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine (CID 146424750) is 3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine is CN1CCC(n2cc(-c3cnc(N)c(-c4ccc(N)cc4F)c3)cn2)CC1.
What is the InChIKey of 3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
The InChIKey is ICASIFZZJPWDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6/c1-26-6-4-16(5-7-26)27-12-14(11-25-27)13-8-18(20(23)24-10-13)17-3-2-15(22)9-19(17)21/h2-3,8-12,16H,4-7,22H2,1H3,(H2,23,24).
What are the key properties of 3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine has a molecular weight of 366.44 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 146424750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).