methyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate

C19H19N7O3 — CID 70099202

IUPACmethyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1CNC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C19H19N7O3/c1-29-19(28)16-12(7-23-26-16)6-22-18(27)17-15(24-13-8-20-10-21-9-13)5-4-14(25-17)11-2-3-11/h4-5,7-11,24H,2-3,6H2,1H3,(H,22,27)(H,23,26)
InChIKeyJYDJBYVICOURLJ-UHFFFAOYSA-N
MW393.41 g/mol
LogP1.93
Rot. Bonds7

About methyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate

methyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate (PubChem CID 70099202) has the molecular formula C19H19N7O3 and a molecular weight of 393.41 g/mol. Its IUPAC name is methyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate
PubChem CID70099202
Molecular FormulaC19H19N7O3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Namemethyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1CNC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C19H19N7O3/c1-29-19(28)16-12(7-23-26-16)6-22-18(27)17-15(24-13-8-20-10-21-9-13)5-4-14(25-17)11-2-3-11/h4-5,7-11,24H,2-3,6H2,1H3,(H,22,27)(H,23,26)
InChIKeyJYDJBYVICOURLJ-UHFFFAOYSA-N
XLogP1.93
TPSA134.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-1-methylpyrazole-3-carboxylate
CID 70099200
6-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 11709781
6-cyclopropyl-N-[1-(2-fluoroethyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415173
N-[3-amino-4-(1-methoxypropan-2-ylamino)-1-methylimino-4-oxobut-2-en-2-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 157380036
6-cyclopropyl-N-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329883
6-cyclopropyl-N-[6-cyclopropyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548335
6-cyclopropyl-N-[4-[2,3-dihydroxypropyl(methyl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58548241
N-[1-amino-4-(methylamino)-4-oxo-3-(3,3,3-trifluoropropylimino)but-1-en-2-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 162567491
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 165415137
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-(trifluoromethylsulfonyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 165415347
[6-cyclopropyl-3-(pyrimidin-5-ylamino)-2-pyridinyl] N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]carbamate
CID 130443173
6-cyclopropyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415245

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate (CID 70099202) is methyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate is COC(=O)c1[nH]ncc1CNC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of methyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate?
The InChIKey is JYDJBYVICOURLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3/c1-29-19(28)16-12(7-23-26-16)6-22-18(27)17-15(24-13-8-20-10-21-9-13)5-4-14(25-17)11-2-3-11/h4-5,7-11,24H,2-3,6H2,1H3,(H,22,27)(H,23,26).
What are the key properties of methyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate?
methyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate has a molecular weight of 393.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]methyl]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 70099202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).