(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide

C25H30F3N5O — CID 165405592

IUPAC(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCc1cc([C@@H](CC(=O)NC[C@H](Cc2ccc3[nH]ncc3c2)N(C)C)C2(C(F)(F)F)CC2)ccn1
InChIInChI=1S/C25H30F3N5O/c1-16-10-18(6-9-29-16)21(24(7-8-24)25(26,27)28)13-23(34)30-15-20(33(2)3)12-17-4-5-22-19(11-17)14-31-32-22/h4-6,9-11,14,20-21H,7-8,12-13,15H2,1-3H3,(H,30,34)(H,31,32)/t20-,21+/m0/s1
InChIKeyBPMUTCKHDLKURR-LEWJYISDSA-N
MW473.54 g/mol
LogP4.37
Rot. Bonds9

About (3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide

(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide (PubChem CID 165405592) has the molecular formula C25H30F3N5O and a molecular weight of 473.54 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
PubChem CID165405592
Molecular FormulaC25H30F3N5O
Molecular Weight473.54 g/mol
Exact Mass473.24
IUPAC Name(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
SMILESCc1cc([C@@H](CC(=O)NC[C@H](Cc2ccc3[nH]ncc3c2)N(C)C)C2(C(F)(F)F)CC2)ccn1
InChIInChI=1S/C25H30F3N5O/c1-16-10-18(6-9-29-16)21(24(7-8-24)25(26,27)28)13-23(34)30-15-20(33(2)3)12-17-4-5-22-19(11-17)14-31-32-22/h4-6,9-11,14,20-21H,7-8,12-13,15H2,1-3H3,(H,30,34)(H,31,32)/t20-,21+/m0/s1
InChIKeyBPMUTCKHDLKURR-LEWJYISDSA-N
XLogP4.37
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The IUPAC name of (3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide (CID 165405592) is (3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide.
What is the SMILES notation for (3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The canonical SMILES for (3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide is Cc1cc([C@@H](CC(=O)NC[C@H](Cc2ccc3[nH]ncc3c2)N(C)C)C2(C(F)(F)F)CC2)ccn1.
What is the InChIKey of (3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
The InChIKey is BPMUTCKHDLKURR-LEWJYISDSA-N. The full InChI is InChI=1S/C25H30F3N5O/c1-16-10-18(6-9-29-16)21(24(7-8-24)25(26,27)28)13-23(34)30-15-20(33(2)3)12-17-4-5-22-19(11-17)14-31-32-22/h4-6,9-11,14,20-21H,7-8,12-13,15H2,1-3H3,(H,30,34)(H,31,32)/t20-,21+/m0/s1.
What are the key properties of (3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide?
(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide has a molecular weight of 473.54 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide is sourced from PubChem (CID 165405592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).