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

C20H25N7O — CID 118381000

IUPAC1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]urea
SMILESCCNc1n[nH]c2cc(NC(=O)N[C@@H]3CN(C)C[C@H]3c3ccccc3)ncc12
InChIInChI=1S/C20H25N7O/c1-3-21-19-14-10-22-18(9-16(14)25-26-19)24-20(28)23-17-12-27(2)11-15(17)13-7-5-4-6-8-13/h4-10,15,17H,3,11-12H2,1-2H3,(H2,21,25,26)(H2,22,23,24,28)/t15-,17+/m0/s1
InChIKeyASUHLOHDVJKVMC-DOTOQJQBSA-N
MW379.47 g/mol
LogP2.61
Rot. Bonds5

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

1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]urea (PubChem CID 118381000) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]urea
PubChem CID118381000
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]urea
SMILESCCNc1n[nH]c2cc(NC(=O)N[C@@H]3CN(C)C[C@H]3c3ccccc3)ncc12
InChIInChI=1S/C20H25N7O/c1-3-21-19-14-10-22-18(9-16(14)25-26-19)24-20(28)23-17-12-27(2)11-15(17)13-7-5-4-6-8-13/h4-10,15,17H,3,11-12H2,1-2H3,(H2,21,25,26)(H2,22,23,24,28)/t15-,17+/m0/s1
InChIKeyASUHLOHDVJKVMC-DOTOQJQBSA-N
XLogP2.61
TPSA97.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]urea (CID 118381000) is 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]urea is CCNc1n[nH]c2cc(NC(=O)N[C@@H]3CN(C)C[C@H]3c3ccccc3)ncc12.
What is the InChIKey of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]urea?
The InChIKey is ASUHLOHDVJKVMC-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H25N7O/c1-3-21-19-14-10-22-18(9-16(14)25-26-19)24-20(28)23-17-12-27(2)11-15(17)13-7-5-4-6-8-13/h4-10,15,17H,3,11-12H2,1-2H3,(H2,21,25,26)(H2,22,23,24,28)/t15-,17+/m0/s1.
What are the key properties of 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]urea?
1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]urea has a molecular weight of 379.47 g/mol, XLogP of 2.61, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 118381000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).