1-(4-ethoxy-1-methylpyrrolidin-3-yl)-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C16H24N6O4 — CID 123793076

IUPAC1-(4-ethoxy-1-methylpyrrolidin-3-yl)-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCCOC1CN(C)CC1NC(=O)Nc1cc2[nH]nc(OC)c2c(CO)n1
InChIInChI=1S/C16H24N6O4/c1-4-26-12-7-22(2)6-10(12)18-16(24)19-13-5-9-14(11(8-23)17-13)15(25-3)21-20-9/h5,10,12,23H,4,6-8H2,1-3H3,(H,20,21)(H2,17,18,19,24)
InChIKeyVNPGTNMSEPTCBC-UHFFFAOYSA-N
MW364.41 g/mol
LogP0.30
Rot. Bonds6

About 1-(4-ethoxy-1-methylpyrrolidin-3-yl)-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-(4-ethoxy-1-methylpyrrolidin-3-yl)-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 123793076) has the molecular formula C16H24N6O4 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-(4-ethoxy-1-methylpyrrolidin-3-yl)-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-(4-ethoxy-1-methylpyrrolidin-3-yl)-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID123793076
Molecular FormulaC16H24N6O4
Molecular Weight364.41 g/mol
Exact Mass364.19
IUPAC Name1-(4-ethoxy-1-methylpyrrolidin-3-yl)-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCCOC1CN(C)CC1NC(=O)Nc1cc2[nH]nc(OC)c2c(CO)n1
InChIInChI=1S/C16H24N6O4/c1-4-26-12-7-22(2)6-10(12)18-16(24)19-13-5-9-14(11(8-23)17-13)15(25-3)21-20-9/h5,10,12,23H,4,6-8H2,1-3H3,(H,20,21)(H2,17,18,19,24)
InChIKeyVNPGTNMSEPTCBC-UHFFFAOYSA-N
XLogP0.30
TPSA124.63 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-1-methylpyrrolidin-3-yl)-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-(4-ethoxy-1-methylpyrrolidin-3-yl)-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 123793076) is 1-(4-ethoxy-1-methylpyrrolidin-3-yl)-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-(4-ethoxy-1-methylpyrrolidin-3-yl)-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-(4-ethoxy-1-methylpyrrolidin-3-yl)-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is CCOC1CN(C)CC1NC(=O)Nc1cc2[nH]nc(OC)c2c(CO)n1.
What is the InChIKey of 1-(4-ethoxy-1-methylpyrrolidin-3-yl)-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is VNPGTNMSEPTCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O4/c1-4-26-12-7-22(2)6-10(12)18-16(24)19-13-5-9-14(11(8-23)17-13)15(25-3)21-20-9/h5,10,12,23H,4,6-8H2,1-3H3,(H,20,21)(H2,17,18,19,24).
What are the key properties of 1-(4-ethoxy-1-methylpyrrolidin-3-yl)-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-(4-ethoxy-1-methylpyrrolidin-3-yl)-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 364.41 g/mol, XLogP of 0.30, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-1-methylpyrrolidin-3-yl)-3-[4-(hydroxymethyl)-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 123793076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).