1-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3R,4S)-4-phenylpyrrolidin-3-yl]urea

C20H24N6O3 — CID 118271987

IUPAC1-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3R,4S)-4-phenylpyrrolidin-3-yl]urea
SMILESCOCCOc1n[nH]c2cc(NC(=O)N[C@H]3CNC[C@@H]3c3ccccc3)ncc12
InChIInChI=1S/C20H24N6O3/c1-28-7-8-29-19-15-11-22-18(9-16(15)25-26-19)24-20(27)23-17-12-21-10-14(17)13-5-3-2-4-6-13/h2-6,9,11,14,17,21H,7-8,10,12H2,1H3,(H,25,26)(H2,22,23,24,27)/t14-,17+/m1/s1
InChIKeyAVOPERJFBVGMAY-PBHICJAKSA-N
MW396.45 g/mol
LogP1.86
Rot. Bonds7

About 1-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3R,4S)-4-phenylpyrrolidin-3-yl]urea

1-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3R,4S)-4-phenylpyrrolidin-3-yl]urea (PubChem CID 118271987) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3R,4S)-4-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3R,4S)-4-phenylpyrrolidin-3-yl]urea
PubChem CID118271987
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name1-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3R,4S)-4-phenylpyrrolidin-3-yl]urea
SMILESCOCCOc1n[nH]c2cc(NC(=O)N[C@H]3CNC[C@@H]3c3ccccc3)ncc12
InChIInChI=1S/C20H24N6O3/c1-28-7-8-29-19-15-11-22-18(9-16(15)25-26-19)24-20(27)23-17-12-21-10-14(17)13-5-3-2-4-6-13/h2-6,9,11,14,17,21H,7-8,10,12H2,1H3,(H,25,26)(H2,22,23,24,27)/t14-,17+/m1/s1
InChIKeyAVOPERJFBVGMAY-PBHICJAKSA-N
XLogP1.86
TPSA113.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3R,4S)-4-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3R,4S)-4-phenylpyrrolidin-3-yl]urea (CID 118271987) is 1-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3R,4S)-4-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3R,4S)-4-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3R,4S)-4-phenylpyrrolidin-3-yl]urea is COCCOc1n[nH]c2cc(NC(=O)N[C@H]3CNC[C@@H]3c3ccccc3)ncc12.
What is the InChIKey of 1-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3R,4S)-4-phenylpyrrolidin-3-yl]urea?
The InChIKey is AVOPERJFBVGMAY-PBHICJAKSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-28-7-8-29-19-15-11-22-18(9-16(15)25-26-19)24-20(27)23-17-12-21-10-14(17)13-5-3-2-4-6-13/h2-6,9,11,14,17,21H,7-8,10,12H2,1H3,(H,25,26)(H2,22,23,24,27)/t14-,17+/m1/s1.
What are the key properties of 1-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3R,4S)-4-phenylpyrrolidin-3-yl]urea?
1-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3R,4S)-4-phenylpyrrolidin-3-yl]urea has a molecular weight of 396.45 g/mol, XLogP of 1.86, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3R,4S)-4-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 118271987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).