[5-(1-methylindol-5-yl)pyrimidin-2-yl] N-methyl-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]carbamate

C23H27N5O3 — CID 130442658

IUPAC[5-(1-methylindol-5-yl)pyrimidin-2-yl] N-methyl-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]carbamate
SMILESCCC(=O)N[C@H]1CC[C@@H](N(C)C(=O)Oc2ncc(-c3ccc4c(ccn4C)c3)cn2)C1
InChIInChI=1S/C23H27N5O3/c1-4-21(29)26-18-6-7-19(12-18)28(3)23(30)31-22-24-13-17(14-25-22)15-5-8-20-16(11-15)9-10-27(20)2/h5,8-11,13-14,18-19H,4,6-7,12H2,1-3H3,(H,26,29)/t18-,19+/m0/s1
InChIKeyWTUUWJYIYBTPKN-RBUKOAKNSA-N
MW421.50 g/mol
LogP3.51
Rot. Bonds5

About [5-(1-methylindol-5-yl)pyrimidin-2-yl] N-methyl-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]carbamate

[5-(1-methylindol-5-yl)pyrimidin-2-yl] N-methyl-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]carbamate (PubChem CID 130442658) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is [5-(1-methylindol-5-yl)pyrimidin-2-yl] N-methyl-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]carbamate.

Molecular Properties

Compound Name[5-(1-methylindol-5-yl)pyrimidin-2-yl] N-methyl-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]carbamate
PubChem CID130442658
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name[5-(1-methylindol-5-yl)pyrimidin-2-yl] N-methyl-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]carbamate
SMILESCCC(=O)N[C@H]1CC[C@@H](N(C)C(=O)Oc2ncc(-c3ccc4c(ccn4C)c3)cn2)C1
InChIInChI=1S/C23H27N5O3/c1-4-21(29)26-18-6-7-19(12-18)28(3)23(30)31-22-24-13-17(14-25-22)15-5-8-20-16(11-15)9-10-27(20)2/h5,8-11,13-14,18-19H,4,6-7,12H2,1-3H3,(H,26,29)/t18-,19+/m0/s1
InChIKeyWTUUWJYIYBTPKN-RBUKOAKNSA-N
XLogP3.51
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(1-methylindol-5-yl)pyrimidin-2-yl] N-methyl-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]carbamate?
The IUPAC name of [5-(1-methylindol-5-yl)pyrimidin-2-yl] N-methyl-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]carbamate (CID 130442658) is [5-(1-methylindol-5-yl)pyrimidin-2-yl] N-methyl-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]carbamate.
What is the SMILES notation for [5-(1-methylindol-5-yl)pyrimidin-2-yl] N-methyl-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]carbamate?
The canonical SMILES for [5-(1-methylindol-5-yl)pyrimidin-2-yl] N-methyl-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]carbamate is CCC(=O)N[C@H]1CC[C@@H](N(C)C(=O)Oc2ncc(-c3ccc4c(ccn4C)c3)cn2)C1.
What is the InChIKey of [5-(1-methylindol-5-yl)pyrimidin-2-yl] N-methyl-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]carbamate?
The InChIKey is WTUUWJYIYBTPKN-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-4-21(29)26-18-6-7-19(12-18)28(3)23(30)31-22-24-13-17(14-25-22)15-5-8-20-16(11-15)9-10-27(20)2/h5,8-11,13-14,18-19H,4,6-7,12H2,1-3H3,(H,26,29)/t18-,19+/m0/s1.
What are the key properties of [5-(1-methylindol-5-yl)pyrimidin-2-yl] N-methyl-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]carbamate?
[5-(1-methylindol-5-yl)pyrimidin-2-yl] N-methyl-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]carbamate has a molecular weight of 421.50 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylindol-5-yl)pyrimidin-2-yl] N-methyl-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]carbamate is sourced from PubChem (CID 130442658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).