[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate

C21H24N8O4 — CID 130443173

IUPAC[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate
SMILESCNC(=O)c1nn(CCOC)cc1NC(=O)Oc1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H24N8O4/c1-22-19(30)18-17(11-29(28-18)7-8-32-2)27-21(31)33-20-16(25-14-9-23-12-24-10-14)6-5-15(26-20)13-3-4-13/h5-6,9-13,25H,3-4,7-8H2,1-2H3,(H,22,30)(H,27,31)
InChIKeyIYZCJHXUJAHYCF-UHFFFAOYSA-N
MW452.48 g/mol
LogP2.31
Rot. Bonds9

About [6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate

[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate (PubChem CID 130443173) has the molecular formula C21H24N8O4 and a molecular weight of 452.48 g/mol. Its IUPAC name is [6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Name[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate
PubChem CID130443173
Molecular FormulaC21H24N8O4
Molecular Weight452.48 g/mol
Exact Mass452.19
IUPAC Name[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate
SMILESCNC(=O)c1nn(CCOC)cc1NC(=O)Oc1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H24N8O4/c1-22-19(30)18-17(11-29(28-18)7-8-32-2)27-21(31)33-20-16(25-14-9-23-12-24-10-14)6-5-15(26-20)13-3-4-13/h5-6,9-13,25H,3-4,7-8H2,1-2H3,(H,22,30)(H,27,31)
InChIKeyIYZCJHXUJAHYCF-UHFFFAOYSA-N
XLogP2.31
TPSA145.18 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.48
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

[2-(2-methoxyethylamino)-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]carbamate
CID 130443063
methyl 4-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate
CID 70099200
6-cyclopropyl-N-[6-cyclopropyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548335
6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 11709781
[2-cyclopropyl-5-(pyrimidin-5-ylamino)pyrimidin-4-yl] N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]carbamate
CID 130443150
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate
CID 130443053
6-cyclopropyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415173
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-fluoro-2-(methylcarbamoyl)phenyl]carbamate
CID 130443031
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate
CID 130443187
[5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]-2-methylpyrimidin-4-yl] N-methylcarbamate
CID 130443017
methyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate
CID 70099202
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 165415137

Frequently Asked Questions

What is the IUPAC name of [6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate?
The IUPAC name of [6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate (CID 130443173) is [6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for [6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate?
The canonical SMILES for [6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate is CNC(=O)c1nn(CCOC)cc1NC(=O)Oc1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of [6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate?
The InChIKey is IYZCJHXUJAHYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O4/c1-22-19(30)18-17(11-29(28-18)7-8-32-2)27-21(31)33-20-16(25-14-9-23-12-24-10-14)6-5-15(26-20)13-3-4-13/h5-6,9-13,25H,3-4,7-8H2,1-2H3,(H,22,30)(H,27,31).
What are the key properties of [6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate?
[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate has a molecular weight of 452.48 g/mol, XLogP of 2.31, 9 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)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 130443173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).