N-cyclopropyl-4-[1-[1-(1H-indol-3-yl)propan-2-yl]piperidin-3-yl]pyrimidin-2-amine

C23H29N5 — CID 44591282

IUPACN-cyclopropyl-4-[1-[1-(1H-indol-3-yl)propan-2-yl]piperidin-3-yl]pyrimidin-2-amine
SMILESCC(Cc1c[nH]c2ccccc12)N1CCCC(c2ccnc(NC3CC3)n2)C1
InChIInChI=1S/C23H29N5/c1-16(13-18-14-25-22-7-3-2-6-20(18)22)28-12-4-5-17(15-28)21-10-11-24-23(27-21)26-19-8-9-19/h2-3,6-7,10-11,14,16-17,19,25H,4-5,8-9,12-13,15H2,1H3,(H,24,26,27)
InChIKeyTXUGDPXGLXURBO-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.34
Rot. Bonds6

About N-cyclopropyl-4-[1-[1-(1H-indol-3-yl)propan-2-yl]piperidin-3-yl]pyrimidin-2-amine

N-cyclopropyl-4-[1-[1-(1H-indol-3-yl)propan-2-yl]piperidin-3-yl]pyrimidin-2-amine (PubChem CID 44591282) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-cyclopropyl-4-[1-[1-(1H-indol-3-yl)propan-2-yl]piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-[1-[1-(1H-indol-3-yl)propan-2-yl]piperidin-3-yl]pyrimidin-2-amine
PubChem CID44591282
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC NameN-cyclopropyl-4-[1-[1-(1H-indol-3-yl)propan-2-yl]piperidin-3-yl]pyrimidin-2-amine
SMILESCC(Cc1c[nH]c2ccccc12)N1CCCC(c2ccnc(NC3CC3)n2)C1
InChIInChI=1S/C23H29N5/c1-16(13-18-14-25-22-7-3-2-6-20(18)22)28-12-4-5-17(15-28)21-10-11-24-23(27-21)26-19-8-9-19/h2-3,6-7,10-11,14,16-17,19,25H,4-5,8-9,12-13,15H2,1H3,(H,24,26,27)
InChIKeyTXUGDPXGLXURBO-UHFFFAOYSA-N
XLogP4.34
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-[1-[1-(1H-indol-3-yl)propan-2-yl]piperidin-3-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 110115033
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]cyclopropanamine
CID 95732551
2-(1H-indol-3-yl)-1-[(3S)-3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
CID 92630778
3-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole
CID 15068996
N-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
CID 44591284
N-(1H-indol-3-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 61034726
1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110267944
2-(1H-indol-3-yl)-1-[(3R)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819209
[1-(1H-indol-3-yl)propan-2-ylamino]-[2-(4-propan-2-ylpiperazin-1-yl)-1,3-oxazol-5-yl]methanol
CID 145241325
N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240913
(2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide
CID 91153843
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883844

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[1-[1-(1H-indol-3-yl)propan-2-yl]piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-[1-[1-(1H-indol-3-yl)propan-2-yl]piperidin-3-yl]pyrimidin-2-amine (CID 44591282) is N-cyclopropyl-4-[1-[1-(1H-indol-3-yl)propan-2-yl]piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-[1-[1-(1H-indol-3-yl)propan-2-yl]piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-[1-[1-(1H-indol-3-yl)propan-2-yl]piperidin-3-yl]pyrimidin-2-amine is CC(Cc1c[nH]c2ccccc12)N1CCCC(c2ccnc(NC3CC3)n2)C1.
What is the InChIKey of N-cyclopropyl-4-[1-[1-(1H-indol-3-yl)propan-2-yl]piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is TXUGDPXGLXURBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-16(13-18-14-25-22-7-3-2-6-20(18)22)28-12-4-5-17(15-28)21-10-11-24-23(27-21)26-19-8-9-19/h2-3,6-7,10-11,14,16-17,19,25H,4-5,8-9,12-13,15H2,1H3,(H,24,26,27).
What are the key properties of N-cyclopropyl-4-[1-[1-(1H-indol-3-yl)propan-2-yl]piperidin-3-yl]pyrimidin-2-amine?
N-cyclopropyl-4-[1-[1-(1H-indol-3-yl)propan-2-yl]piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 375.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[1-[1-(1H-indol-3-yl)propan-2-yl]piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 44591282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).