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

C22H26FN5 — CID 162679118

IUPAC5-cyclopropyl-6-(2,6-dimethyl-4-pyridinyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine
SMILESCc1cc(-c2cc3[nH]nc(N[C@@H]4CCNC[C@H]4F)c3cc2C2CC2)cc(C)n1
InChIInChI=1S/C22H26FN5/c1-12-7-15(8-13(2)25-12)17-10-21-18(9-16(17)14-3-4-14)22(28-27-21)26-20-5-6-24-11-19(20)23/h7-10,14,19-20,24H,3-6,11H2,1-2H3,(H2,26,27,28)/t19-,20-/m1/s1
InChIKeyJUSJRQVEHUHMRQ-WOJBJXKFSA-N
MW379.48 g/mol
LogP4.23
Rot. Bonds4

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

5-cyclopropyl-6-(2,6-dimethyl-4-pyridinyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine (PubChem CID 162679118) has the molecular formula C22H26FN5 and a molecular weight of 379.48 g/mol. Its IUPAC name is 5-cyclopropyl-6-(2,6-dimethyl-4-pyridinyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-cyclopropyl-6-(2,6-dimethyl-4-pyridinyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine
PubChem CID162679118
Molecular FormulaC22H26FN5
Molecular Weight379.48 g/mol
Exact Mass379.22
IUPAC Name5-cyclopropyl-6-(2,6-dimethyl-4-pyridinyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine
SMILESCc1cc(-c2cc3[nH]nc(N[C@@H]4CCNC[C@H]4F)c3cc2C2CC2)cc(C)n1
InChIInChI=1S/C22H26FN5/c1-12-7-15(8-13(2)25-12)17-10-21-18(9-16(17)14-3-4-14)22(28-27-21)26-20-5-6-24-11-19(20)23/h7-10,14,19-20,24H,3-6,11H2,1-2H3,(H2,26,27,28)/t19-,20-/m1/s1
InChIKeyJUSJRQVEHUHMRQ-WOJBJXKFSA-N
XLogP4.23
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(2,6-dimethyl-4-pyridinyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of 5-cyclopropyl-6-(2,6-dimethyl-4-pyridinyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine (CID 162679118) is 5-cyclopropyl-6-(2,6-dimethyl-4-pyridinyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for 5-cyclopropyl-6-(2,6-dimethyl-4-pyridinyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for 5-cyclopropyl-6-(2,6-dimethyl-4-pyridinyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine is Cc1cc(-c2cc3[nH]nc(N[C@@H]4CCNC[C@H]4F)c3cc2C2CC2)cc(C)n1.
What is the InChIKey of 5-cyclopropyl-6-(2,6-dimethyl-4-pyridinyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine?
The InChIKey is JUSJRQVEHUHMRQ-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H26FN5/c1-12-7-15(8-13(2)25-12)17-10-21-18(9-16(17)14-3-4-14)22(28-27-21)26-20-5-6-24-11-19(20)23/h7-10,14,19-20,24H,3-6,11H2,1-2H3,(H2,26,27,28)/t19-,20-/m1/s1.
What are the key properties of 5-cyclopropyl-6-(2,6-dimethyl-4-pyridinyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine?
5-cyclopropyl-6-(2,6-dimethyl-4-pyridinyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine has a molecular weight of 379.48 g/mol, XLogP of 4.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(2,6-dimethyl-4-pyridinyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 162679118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).