5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine

C21H23F2N5 — CID 166629046

IUPAC5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine
SMILESCc1nccc(-c2cc3[nH]nc(N[C@H]4CCNC[C@@H]4F)c3cc2C2CC2)c1F
InChIInChI=1S/C21H23F2N5/c1-11-20(23)13(4-7-25-11)15-9-19-16(8-14(15)12-2-3-12)21(28-27-19)26-18-5-6-24-10-17(18)22/h4,7-9,12,17-18,24H,2-3,5-6,10H2,1H3,(H2,26,27,28)/t17-,18-/m0/s1
InChIKeyXZAOOSGKUBHZSY-ROUUACIJSA-N
MW383.45 g/mol
LogP4.06
Rot. Bonds4

About 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine

5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine (PubChem CID 166629046) has the molecular formula C21H23F2N5 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine
PubChem CID166629046
Molecular FormulaC21H23F2N5
Molecular Weight383.45 g/mol
Exact Mass383.19
IUPAC Name5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine
SMILESCc1nccc(-c2cc3[nH]nc(N[C@H]4CCNC[C@@H]4F)c3cc2C2CC2)c1F
InChIInChI=1S/C21H23F2N5/c1-11-20(23)13(4-7-25-11)15-9-19-16(8-14(15)12-2-3-12)21(28-27-19)26-18-5-6-24-10-17(18)22/h4,7-9,12,17-18,24H,2-3,5-6,10H2,1H3,(H2,26,27,28)/t17-,18-/m0/s1
InChIKeyXZAOOSGKUBHZSY-ROUUACIJSA-N
XLogP4.06
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine (CID 166629046) is 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine is Cc1nccc(-c2cc3[nH]nc(N[C@H]4CCNC[C@@H]4F)c3cc2C2CC2)c1F.
What is the InChIKey of 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine?
The InChIKey is XZAOOSGKUBHZSY-ROUUACIJSA-N. The full InChI is InChI=1S/C21H23F2N5/c1-11-20(23)13(4-7-25-11)15-9-19-16(8-14(15)12-2-3-12)21(28-27-19)26-18-5-6-24-10-17(18)22/h4,7-9,12,17-18,24H,2-3,5-6,10H2,1H3,(H2,26,27,28)/t17-,18-/m0/s1.
What are the key properties of 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine?
5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine has a molecular weight of 383.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 166629046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).