2-[1-[[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid

C21H26N6O5 — CID 162514188

IUPAC2-[1-[[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid
SMILESCn1nc(C(=O)NC2(c3ncc(C(=O)O)cn3)CC2)c2c1CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C21H26N6O5/c1-20(2,3)32-19(31)27-8-5-14-13(11-27)15(25-26(14)4)16(28)24-21(6-7-21)18-22-9-12(10-23-18)17(29)30/h9-10H,5-8,11H2,1-4H3,(H,24,28)(H,29,30)
InChIKeySPRQRTQDHDEHTG-UHFFFAOYSA-N
MW442.48 g/mol
LogP1.62
Rot. Bonds4

About 2-[1-[[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid

2-[1-[[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid (PubChem CID 162514188) has the molecular formula C21H26N6O5 and a molecular weight of 442.48 g/mol. Its IUPAC name is 2-[1-[[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid
PubChem CID162514188
Molecular FormulaC21H26N6O5
Molecular Weight442.48 g/mol
Exact Mass442.20
IUPAC Name2-[1-[[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid
SMILESCn1nc(C(=O)NC2(c3ncc(C(=O)O)cn3)CC2)c2c1CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C21H26N6O5/c1-20(2,3)32-19(31)27-8-5-14-13(11-27)15(25-26(14)4)16(28)24-21(6-7-21)18-22-9-12(10-23-18)17(29)30/h9-10H,5-8,11H2,1-4H3,(H,24,28)(H,29,30)
InChIKeySPRQRTQDHDEHTG-UHFFFAOYSA-N
XLogP1.62
TPSA139.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[1-[[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[1-[[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid (CID 162514188) is 2-[1-[[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[1-[[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[1-[[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid is Cn1nc(C(=O)NC2(c3ncc(C(=O)O)cn3)CC2)c2c1CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of 2-[1-[[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid?
The InChIKey is SPRQRTQDHDEHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O5/c1-20(2,3)32-19(31)27-8-5-14-13(11-27)15(25-26(14)4)16(28)24-21(6-7-21)18-22-9-12(10-23-18)17(29)30/h9-10H,5-8,11H2,1-4H3,(H,24,28)(H,29,30).
What are the key properties of 2-[1-[[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid?
2-[1-[[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid has a molecular weight of 442.48 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 162514188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).