4-(1H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C17H17F3N6 — CID 155537111

IUPAC4-(1H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12
InChIInChI=1S/C17H17F3N6/c18-17(19,20)12-9-22-16(23-10-4-3-7-21-8-10)24-15(12)14-11-5-1-2-6-13(11)25-26-14/h1-2,5-6,9-10,21H,3-4,7-8H2,(H,25,26)(H,22,23,24)/t10-/m0/s1
InChIKeyRSEOXWPUDYEWFU-JTQLQIEISA-N
MW362.36 g/mol
LogP3.20
Rot. Bonds3

About 4-(1H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

4-(1H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 155537111) has the molecular formula C17H17F3N6 and a molecular weight of 362.36 g/mol. Its IUPAC name is 4-(1H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID155537111
Molecular FormulaC17H17F3N6
Molecular Weight362.36 g/mol
Exact Mass362.15
IUPAC Name4-(1H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12
InChIInChI=1S/C17H17F3N6/c18-17(19,20)12-9-22-16(23-10-4-3-7-21-8-10)24-15(12)14-11-5-1-2-6-13(11)25-26-14/h1-2,5-6,9-10,21H,3-4,7-8H2,(H,25,26)(H,22,23,24)/t10-/m0/s1
InChIKeyRSEOXWPUDYEWFU-JTQLQIEISA-N
XLogP3.20
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(1H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 155537111) is 4-(1H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RSEOXWPUDYEWFU-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17F3N6/c18-17(19,20)12-9-22-16(23-10-4-3-7-21-8-10)24-15(12)14-11-5-1-2-6-13(11)25-26-14/h1-2,5-6,9-10,21H,3-4,7-8H2,(H,25,26)(H,22,23,24)/t10-/m0/s1.
What are the key properties of 4-(1H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-(1H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 362.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 155537111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).