4-[6-[1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridin-3-yl]-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C27H23F6N7 — CID 162672015

IUPAC4-[6-[1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridin-3-yl]-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCn1cc(-c2ccc3c(-c4nc(N[C@H]5CCCNC5)ncc4C(F)(F)F)c[nH]c3c2)c2cnc(C(F)(F)F)cc21
InChIInChI=1S/C27H23F6N7/c1-40-13-19(17-10-36-23(8-22(17)40)27(31,32)33)14-4-5-16-18(11-35-21(16)7-14)24-20(26(28,29)30)12-37-25(39-24)38-15-3-2-6-34-9-15/h4-5,7-8,10-13,15,34-35H,2-3,6,9H2,1H3,(H,37,38,39)/t15-/m0/s1
InChIKeyJPSORPODXWGJEF-HNNXBMFYSA-N
MW559.52 g/mol
LogP6.38
Rot. Bonds4

About 4-[6-[1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridin-3-yl]-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

4-[6-[1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridin-3-yl]-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 162672015) has the molecular formula C27H23F6N7 and a molecular weight of 559.52 g/mol. Its IUPAC name is 4-[6-[1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridin-3-yl]-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-[1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridin-3-yl]-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID162672015
Molecular FormulaC27H23F6N7
Molecular Weight559.52 g/mol
Exact Mass559.19
IUPAC Name4-[6-[1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridin-3-yl]-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCn1cc(-c2ccc3c(-c4nc(N[C@H]5CCCNC5)ncc4C(F)(F)F)c[nH]c3c2)c2cnc(C(F)(F)F)cc21
InChIInChI=1S/C27H23F6N7/c1-40-13-19(17-10-36-23(8-22(17)40)27(31,32)33)14-4-5-16-18(11-35-21(16)7-14)24-20(26(28,29)30)12-37-25(39-24)38-15-3-2-6-34-9-15/h4-5,7-8,10-13,15,34-35H,2-3,6,9H2,1H3,(H,37,38,39)/t15-/m0/s1
InChIKeyJPSORPODXWGJEF-HNNXBMFYSA-N
XLogP6.38
TPSA83.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.52
LogP ≤ 56.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[6-[1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridin-3-yl]-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridin-3-yl]-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[6-[1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridin-3-yl]-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 162672015) is 4-[6-[1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridin-3-yl]-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[6-[1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridin-3-yl]-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[6-[1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridin-3-yl]-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is Cn1cc(-c2ccc3c(-c4nc(N[C@H]5CCCNC5)ncc4C(F)(F)F)c[nH]c3c2)c2cnc(C(F)(F)F)cc21.
What is the InChIKey of 4-[6-[1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridin-3-yl]-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is JPSORPODXWGJEF-HNNXBMFYSA-N. The full InChI is InChI=1S/C27H23F6N7/c1-40-13-19(17-10-36-23(8-22(17)40)27(31,32)33)14-4-5-16-18(11-35-21(16)7-14)24-20(26(28,29)30)12-37-25(39-24)38-15-3-2-6-34-9-15/h4-5,7-8,10-13,15,34-35H,2-3,6,9H2,1H3,(H,37,38,39)/t15-/m0/s1.
What are the key properties of 4-[6-[1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridin-3-yl]-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-[6-[1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridin-3-yl]-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 559.52 g/mol, XLogP of 6.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[1-methyl-6-(trifluoromethyl)pyrrolo[3,2-c]pyridin-3-yl]-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 162672015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).