5-chloro-4-(1-phenylindol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine

C23H22ClN5 — CID 162643794

IUPAC5-chloro-4-(1-phenylindol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESClc1cnc(N[C@H]2CCCNC2)nc1-c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C23H22ClN5/c24-20-14-26-23(27-16-7-6-12-25-13-16)28-22(20)19-15-29(17-8-2-1-3-9-17)21-11-5-4-10-18(19)21/h1-5,8-11,14-16,25H,6-7,12-13H2,(H,26,27,28)/t16-/m0/s1
InChIKeyIXDAWHJFDAMKNI-INIZCTEOSA-N
MW403.92 g/mol
LogP4.90
Rot. Bonds4

About 5-chloro-4-(1-phenylindol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine

5-chloro-4-(1-phenylindol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (PubChem CID 162643794) has the molecular formula C23H22ClN5 and a molecular weight of 403.92 g/mol. Its IUPAC name is 5-chloro-4-(1-phenylindol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(1-phenylindol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
PubChem CID162643794
Molecular FormulaC23H22ClN5
Molecular Weight403.92 g/mol
Exact Mass403.16
IUPAC Name5-chloro-4-(1-phenylindol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESClc1cnc(N[C@H]2CCCNC2)nc1-c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C23H22ClN5/c24-20-14-26-23(27-16-7-6-12-25-13-16)28-22(20)19-15-29(17-8-2-1-3-9-17)21-11-5-4-10-18(19)21/h1-5,8-11,14-16,25H,6-7,12-13H2,(H,26,27,28)/t16-/m0/s1
InChIKeyIXDAWHJFDAMKNI-INIZCTEOSA-N
XLogP4.90
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.92
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

L-745870
CID 5311200
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-amine
CID 17751819
Tuspetinib
CID 135390910
6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
Bms-279700
CID 9844320
6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine
CID 49843482
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
2-Methyl-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}-1h-Indole
CID 2813100
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860
4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide
CID 16129582
1-(4-(4-chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 24762195

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1-phenylindol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(1-phenylindol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (CID 162643794) is 5-chloro-4-(1-phenylindol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(1-phenylindol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(1-phenylindol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is Clc1cnc(N[C@H]2CCCNC2)nc1-c1cn(-c2ccccc2)c2ccccc12.
What is the InChIKey of 5-chloro-4-(1-phenylindol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is IXDAWHJFDAMKNI-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22ClN5/c24-20-14-26-23(27-16-7-6-12-25-13-16)28-22(20)19-15-29(17-8-2-1-3-9-17)21-11-5-4-10-18(19)21/h1-5,8-11,14-16,25H,6-7,12-13H2,(H,26,27,28)/t16-/m0/s1.
What are the key properties of 5-chloro-4-(1-phenylindol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
5-chloro-4-(1-phenylindol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 403.92 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1-phenylindol-3-yl)-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 162643794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).