1-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

C22H27N7O2 — CID 122362918

IUPAC1-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCN1C[C@H](c2ccccc2)[C@H](NC(=O)Nc2cc3[nH]nc(N4CCOCC4)c3cn2)C1
InChIInChI=1S/C22H27N7O2/c1-28-13-17(15-5-3-2-4-6-15)19(14-28)24-22(30)25-20-11-18-16(12-23-20)21(27-26-18)29-7-9-31-10-8-29/h2-6,11-12,17,19H,7-10,13-14H2,1H3,(H,26,27)(H2,23,24,25,30)/t17-,19-/m1/s1
InChIKeyCPTWMDDZLHJIBM-IEBWSBKVSA-N
MW421.51 g/mol
LogP2.01
Rot. Bonds4

About 1-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

1-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 122362918) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 1-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
PubChem CID122362918
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name1-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCN1C[C@H](c2ccccc2)[C@H](NC(=O)Nc2cc3[nH]nc(N4CCOCC4)c3cn2)C1
InChIInChI=1S/C22H27N7O2/c1-28-13-17(15-5-3-2-4-6-15)19(14-28)24-22(30)25-20-11-18-16(12-23-20)21(27-26-18)29-7-9-31-10-8-29/h2-6,11-12,17,19H,7-10,13-14H2,1H3,(H,26,27)(H2,23,24,25,30)/t17-,19-/m1/s1
InChIKeyCPTWMDDZLHJIBM-IEBWSBKVSA-N
XLogP2.01
TPSA98.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The IUPAC name of 1-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 122362918) is 1-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The canonical SMILES for 1-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is CN1C[C@H](c2ccccc2)[C@H](NC(=O)Nc2cc3[nH]nc(N4CCOCC4)c3cn2)C1.
What is the InChIKey of 1-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The InChIKey is CPTWMDDZLHJIBM-IEBWSBKVSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-28-13-17(15-5-3-2-4-6-15)19(14-28)24-22(30)25-20-11-18-16(12-23-20)21(27-26-18)29-7-9-31-10-8-29/h2-6,11-12,17,19H,7-10,13-14H2,1H3,(H,26,27)(H2,23,24,25,30)/t17-,19-/m1/s1.
What are the key properties of 1-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
1-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 421.51 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 122362918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).