[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]urea

C22H24N8O3 — CID 163377510

IUPAC[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCO[C@@]1(c2cc(C)cc(-n3nc(-c4cnn(C)c4)c4cnc(NC(N)=O)cc43)n2)CCOC1
InChIInChI=1S/C22H24N8O3/c1-13-6-17(22(32-3)4-5-33-12-22)26-19(7-13)30-16-8-18(27-21(23)31)24-10-15(16)20(28-30)14-9-25-29(2)11-14/h6-11H,4-5,12H2,1-3H3,(H3,23,24,27,31)/t22-/m0/s1
InChIKeySXVDLZBWXAYZHZ-QFIPXVFZSA-N
MW448.49 g/mol
LogP2.28
Rot. Bonds5

About [1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]urea

[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 163377510) has the molecular formula C22H24N8O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is [1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID163377510
Molecular FormulaC22H24N8O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCO[C@@]1(c2cc(C)cc(-n3nc(-c4cnn(C)c4)c4cnc(NC(N)=O)cc43)n2)CCOC1
InChIInChI=1S/C22H24N8O3/c1-13-6-17(22(32-3)4-5-33-12-22)26-19(7-13)30-16-8-18(27-21(23)31)24-10-15(16)20(28-30)14-9-25-29(2)11-14/h6-11H,4-5,12H2,1-3H3,(H3,23,24,27,31)/t22-/m0/s1
InChIKeySXVDLZBWXAYZHZ-QFIPXVFZSA-N
XLogP2.28
TPSA135.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of [1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]urea (CID 163377510) is [1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for [1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for [1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]urea is CO[C@@]1(c2cc(C)cc(-n3nc(-c4cnn(C)c4)c4cnc(NC(N)=O)cc43)n2)CCOC1.
What is the InChIKey of [1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is SXVDLZBWXAYZHZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N8O3/c1-13-6-17(22(32-3)4-5-33-12-22)26-19(7-13)30-16-8-18(27-21(23)31)24-10-15(16)20(28-30)14-9-25-29(2)11-14/h6-11H,4-5,12H2,1-3H3,(H3,23,24,27,31)/t22-/m0/s1.
What are the key properties of [1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]urea?
[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 448.49 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 163377510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).