4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-7H-cyclopenta[b]pyridine

C23H23F3N6 — CID 58486586

IUPAC4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-7H-cyclopenta[b]pyridine
SMILESC[C@@H]1CN(Cc2cn[nH]c2-c2ccnc3c2C=CC3)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C23H23F3N6/c1-15-13-31(9-10-32(15)21-6-5-17(12-28-21)23(24,25)26)14-16-11-29-30-22(16)19-7-8-27-20-4-2-3-18(19)20/h2-3,5-8,11-12,15H,4,9-10,13-14H2,1H3,(H,29,30)/t15-/m1/s1
InChIKeyKQBPSBBTCOOKJE-OAHLLOKOSA-N
MW440.47 g/mol
LogP4.17
Rot. Bonds4

About 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-7H-cyclopenta[b]pyridine

4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-7H-cyclopenta[b]pyridine (PubChem CID 58486586) has the molecular formula C23H23F3N6 and a molecular weight of 440.47 g/mol. Its IUPAC name is 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-7H-cyclopenta[b]pyridine
PubChem CID58486586
Molecular FormulaC23H23F3N6
Molecular Weight440.47 g/mol
Exact Mass440.19
IUPAC Name4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-7H-cyclopenta[b]pyridine
SMILESC[C@@H]1CN(Cc2cn[nH]c2-c2ccnc3c2C=CC3)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C23H23F3N6/c1-15-13-31(9-10-32(15)21-6-5-17(12-28-21)23(24,25)26)14-16-11-29-30-22(16)19-7-8-27-20-4-2-3-18(19)20/h2-3,5-8,11-12,15H,4,9-10,13-14H2,1H3,(H,29,30)/t15-/m1/s1
InChIKeyKQBPSBBTCOOKJE-OAHLLOKOSA-N
XLogP4.17
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-7H-cyclopenta[b]pyridine with MolForge

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Related Compounds

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
(S)-5-fluoro-2-(1-(5-fluoropyridin-2-yl)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile
CID 53232451
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146680833
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146681117
4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(4-(dimethylamino)piperidin-1-yl)pyridin-2-yl)pyrimidin-2-amine
CID 49765254
Pyrazole 79
CID 23647348
Isopropyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46899553
N-(oxan-4-yl)-4-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)-2-pyridinyl]pyridin-2-amine
CID 46899554
Cyclohexyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46902013
1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 67959736
(S)-1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253342

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-7H-cyclopenta[b]pyridine?
The IUPAC name of 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-7H-cyclopenta[b]pyridine (CID 58486586) is 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-7H-cyclopenta[b]pyridine?
The canonical SMILES for 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-7H-cyclopenta[b]pyridine is C[C@@H]1CN(Cc2cn[nH]c2-c2ccnc3c2C=CC3)CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-7H-cyclopenta[b]pyridine?
The InChIKey is KQBPSBBTCOOKJE-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23F3N6/c1-15-13-31(9-10-32(15)21-6-5-17(12-28-21)23(24,25)26)14-16-11-29-30-22(16)19-7-8-27-20-4-2-3-18(19)20/h2-3,5-8,11-12,15H,4,9-10,13-14H2,1H3,(H,29,30)/t15-/m1/s1.
What are the key properties of 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-7H-cyclopenta[b]pyridine?
4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-7H-cyclopenta[b]pyridine has a molecular weight of 440.47 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 58486586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).