1-[3-(benzylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-[(1R)-1-phenylethyl]urea

C22H22N6O — CID 118638534

IUPAC1-[3-(benzylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-[(1R)-1-phenylethyl]urea
SMILESC[C@H](c1ccccc1)N(C(N)=O)c1cc2[nH]nc(NCc3ccccc3)c2cn1
InChIInChI=1S/C22H22N6O/c1-15(17-10-6-3-7-11-17)28(22(23)29)20-12-19-18(14-24-20)21(27-26-19)25-13-16-8-4-2-5-9-16/h2-12,14-15H,13H2,1H3,(H2,23,29)(H2,25,26,27)/t15-/m1/s1
InChIKeyFKKAHKXMPXFXOP-OAHLLOKOSA-N
MW386.46 g/mol
LogP4.22
Rot. Bonds6

About 1-[3-(benzylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-[(1R)-1-phenylethyl]urea

1-[3-(benzylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-[(1R)-1-phenylethyl]urea (PubChem CID 118638534) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-[3-(benzylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[3-(benzylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-[(1R)-1-phenylethyl]urea
PubChem CID118638534
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name1-[3-(benzylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-[(1R)-1-phenylethyl]urea
SMILESC[C@H](c1ccccc1)N(C(N)=O)c1cc2[nH]nc(NCc3ccccc3)c2cn1
InChIInChI=1S/C22H22N6O/c1-15(17-10-6-3-7-11-17)28(22(23)29)20-12-19-18(14-24-20)21(27-26-19)25-13-16-8-4-2-5-9-16/h2-12,14-15H,13H2,1H3,(H2,23,29)(H2,25,26,27)/t15-/m1/s1
InChIKeyFKKAHKXMPXFXOP-OAHLLOKOSA-N
XLogP4.22
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-phenyl-1-[3-(pyridin-3-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]pentan-2-one
CID 147330396
methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate
CID 118272221
[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 123871133
1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea
CID 118271686
N-benzyl-5-chloro-1H-indazol-3-amine
CID 142275552
3,3,3-trifluoro-N-[6-[(4S)-2-oxo-4-phenylpentyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]propanamide
CID 147139230
1-[3-(oxan-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123839512
2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118271641
1-[3-(oxolan-2-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118380817
1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 157271075
N-benzyl-6-(3-ethoxyphenyl)-1H-indazol-3-amine
CID 166629921
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(2,2,2-trifluoroethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118381024

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-[3-(benzylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-[(1R)-1-phenylethyl]urea (CID 118638534) is 1-[3-(benzylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-[3-(benzylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-[3-(benzylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-[(1R)-1-phenylethyl]urea is C[C@H](c1ccccc1)N(C(N)=O)c1cc2[nH]nc(NCc3ccccc3)c2cn1.
What is the InChIKey of 1-[3-(benzylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-[(1R)-1-phenylethyl]urea?
The InChIKey is FKKAHKXMPXFXOP-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22N6O/c1-15(17-10-6-3-7-11-17)28(22(23)29)20-12-19-18(14-24-20)21(27-26-19)25-13-16-8-4-2-5-9-16/h2-12,14-15H,13H2,1H3,(H2,23,29)(H2,25,26,27)/t15-/m1/s1.
What are the key properties of 1-[3-(benzylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-[(1R)-1-phenylethyl]urea?
1-[3-(benzylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-[(1R)-1-phenylethyl]urea has a molecular weight of 386.46 g/mol, XLogP of 4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 118638534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).