[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]carbamate

C20H23N9O3 — CID 130442937

IUPAC[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]carbamate
SMILESCCNC(=O)c1c(NC(=O)Oc2nc(C3CC3)cnc2Nc2cncnc2)cnn1CC
InChIInChI=1S/C20H23N9O3/c1-3-23-18(30)16-15(10-25-29(16)4-2)28-20(31)32-19-17(26-13-7-21-11-22-8-13)24-9-14(27-19)12-5-6-12/h7-12H,3-6H2,1-2H3,(H,23,30)(H,24,26)(H,28,31)
InChIKeyQBZSACWTWFJBRF-UHFFFAOYSA-N
MW437.46 g/mol
LogP2.46
Rot. Bonds8

About [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]carbamate

[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]carbamate (PubChem CID 130442937) has the molecular formula C20H23N9O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Name[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]carbamate
PubChem CID130442937
Molecular FormulaC20H23N9O3
Molecular Weight437.46 g/mol
Exact Mass437.19
IUPAC Name[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]carbamate
SMILESCCNC(=O)c1c(NC(=O)Oc2nc(C3CC3)cnc2Nc2cncnc2)cnn1CC
InChIInChI=1S/C20H23N9O3/c1-3-23-18(30)16-15(10-25-29(16)4-2)28-20(31)32-19-17(26-13-7-21-11-22-8-13)24-9-14(27-19)12-5-6-12/h7-12H,3-6H2,1-2H3,(H,23,30)(H,24,26)(H,28,31)
InChIKeyQBZSACWTWFJBRF-UHFFFAOYSA-N
XLogP2.46
TPSA148.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]carbamate?
The IUPAC name of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]carbamate (CID 130442937) is [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]carbamate?
The canonical SMILES for [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]carbamate is CCNC(=O)c1c(NC(=O)Oc2nc(C3CC3)cnc2Nc2cncnc2)cnn1CC.
What is the InChIKey of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]carbamate?
The InChIKey is QBZSACWTWFJBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9O3/c1-3-23-18(30)16-15(10-25-29(16)4-2)28-20(31)32-19-17(26-13-7-21-11-22-8-13)24-9-14(27-19)12-5-6-12/h7-12H,3-6H2,1-2H3,(H,23,30)(H,24,26)(H,28,31).
What are the key properties of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]carbamate?
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]carbamate has a molecular weight of 437.46 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 130442937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).