1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea

C18H19N5O2 — CID 94165404

IUPAC1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
SMILESCc1nn(C)c2ncc(NC(=O)N[C@H]3CCOc4ccccc43)cc12
InChIInChI=1S/C18H19N5O2/c1-11-14-9-12(10-19-17(14)23(2)22-11)20-18(24)21-15-7-8-25-16-6-4-3-5-13(15)16/h3-6,9-10,15H,7-8H2,1-2H3,(H2,20,21,24)/t15-/m0/s1
InChIKeyYZFGPAVJJQQZJX-HNNXBMFYSA-N
MW337.38 g/mol
LogP2.92
Rot. Bonds2

About 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea

1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea (PubChem CID 94165404) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea.

Molecular Properties

Compound Name1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
PubChem CID94165404
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
SMILESCc1nn(C)c2ncc(NC(=O)N[C@H]3CCOc4ccccc43)cc12
InChIInChI=1S/C18H19N5O2/c1-11-14-9-12(10-19-17(14)23(2)22-11)20-18(24)21-15-7-8-25-16-6-4-3-5-13(15)16/h3-6,9-10,15H,7-8H2,1-2H3,(H2,20,21,24)/t15-/m0/s1
InChIKeyYZFGPAVJJQQZJX-HNNXBMFYSA-N
XLogP2.92
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31339166
1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea
CID 51082005
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(6-methylsulfonyl-3-pyridinyl)urea
CID 94177707
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 94881457
N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16623060
1-(3-aminophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 62367144
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95126923
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134042792
N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880356
methyl N-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]phenyl]carbamate
CID 94152568
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
CID 110866349

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea?
The IUPAC name of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea (CID 94165404) is 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea.
What is the SMILES notation for 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea?
The canonical SMILES for 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea is Cc1nn(C)c2ncc(NC(=O)N[C@H]3CCOc4ccccc43)cc12.
What is the InChIKey of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea?
The InChIKey is YZFGPAVJJQQZJX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-14-9-12(10-19-17(14)23(2)22-11)20-18(24)21-15-7-8-25-16-6-4-3-5-13(15)16/h3-6,9-10,15H,7-8H2,1-2H3,(H2,20,21,24)/t15-/m0/s1.
What are the key properties of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea?
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea has a molecular weight of 337.38 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea is sourced from PubChem (CID 94165404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).