[5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C21H28N6O3 — CID 164879613

IUPAC[5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCN1CCc2ccc(Nc3cc(C4CC(OC(=O)NC5(C)CC5)CO4)[nH]n3)nc2C1
InChIInChI=1S/C21H28N6O3/c1-21(6-7-21)24-20(28)30-14-9-17(29-12-14)15-10-19(26-25-15)23-18-4-3-13-5-8-27(2)11-16(13)22-18/h3-4,10,14,17H,5-9,11-12H2,1-2H3,(H,24,28)(H2,22,23,25,26)
InChIKeyQDVNNQKFIBSJLO-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.64
Rot. Bonds5

About [5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 164879613) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is [5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
PubChem CID164879613
Molecular FormulaC21H28N6O3
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC Name[5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCN1CCc2ccc(Nc3cc(C4CC(OC(=O)NC5(C)CC5)CO4)[nH]n3)nc2C1
InChIInChI=1S/C21H28N6O3/c1-21(6-7-21)24-20(28)30-14-9-17(29-12-14)15-10-19(26-25-15)23-18-4-3-13-5-8-27(2)11-16(13)22-18/h3-4,10,14,17H,5-9,11-12H2,1-2H3,(H,24,28)(H2,22,23,25,26)
InChIKeyQDVNNQKFIBSJLO-UHFFFAOYSA-N
XLogP2.64
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 164879613) is [5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is CN1CCc2ccc(Nc3cc(C4CC(OC(=O)NC5(C)CC5)CO4)[nH]n3)nc2C1.
What is the InChIKey of [5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is QDVNNQKFIBSJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c1-21(6-7-21)24-20(28)30-14-9-17(29-12-14)15-10-19(26-25-15)23-18-4-3-13-5-8-27(2)11-16(13)22-18/h3-4,10,14,17H,5-9,11-12H2,1-2H3,(H,24,28)(H2,22,23,25,26).
What are the key properties of [5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
[5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 412.49 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 164879613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).