(4S)-4-phenyl-1-[3-(pyridin-3-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]pentan-2-one

C23H23N5O — CID 147330396

IUPAC(4S)-4-phenyl-1-[3-(pyridin-3-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]pentan-2-one
SMILESC[C@@H](CC(=O)Cc1cc2[nH]nc(NCc3cccnc3)c2cn1)c1ccccc1
InChIInChI=1S/C23H23N5O/c1-16(18-7-3-2-4-8-18)10-20(29)11-19-12-22-21(15-25-19)23(28-27-22)26-14-17-6-5-9-24-13-17/h2-9,12-13,15-16H,10-11,14H2,1H3,(H2,26,27,28)/t16-/m0/s1
InChIKeyDBNWVUMQAJTONH-INIZCTEOSA-N
MW385.47 g/mol
LogP4.27
Rot. Bonds8

About (4S)-4-phenyl-1-[3-(pyridin-3-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]pentan-2-one

(4S)-4-phenyl-1-[3-(pyridin-3-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]pentan-2-one (PubChem CID 147330396) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is (4S)-4-phenyl-1-[3-(pyridin-3-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]pentan-2-one.

Molecular Properties

Compound Name(4S)-4-phenyl-1-[3-(pyridin-3-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]pentan-2-one
PubChem CID147330396
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name(4S)-4-phenyl-1-[3-(pyridin-3-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]pentan-2-one
SMILESC[C@@H](CC(=O)Cc1cc2[nH]nc(NCc3cccnc3)c2cn1)c1ccccc1
InChIInChI=1S/C23H23N5O/c1-16(18-7-3-2-4-8-18)10-20(29)11-19-12-22-21(15-25-19)23(28-27-22)26-14-17-6-5-9-24-13-17/h2-9,12-13,15-16H,10-11,14H2,1H3,(H2,26,27,28)/t16-/m0/s1
InChIKeyDBNWVUMQAJTONH-INIZCTEOSA-N
XLogP4.27
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(benzylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-[(1R)-1-phenylethyl]urea
CID 118638534
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
N-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 149017048
N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide
CID 118380874
4-methyl-1-pyridin-3-ylpentan-2-one
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CID 116553063
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545
1-(1-phenylethyl)-3-[3-(pyridin-3-ylmethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]urea
CID 118271502
6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410705
2-methyl-1-[4-(pyridin-3-ylmethylamino)phenyl]propan-1-one
CID 95463721
2-methyl-N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 164985859
4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid
CID 83691362

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-1-[3-(pyridin-3-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]pentan-2-one?
The IUPAC name of (4S)-4-phenyl-1-[3-(pyridin-3-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]pentan-2-one (CID 147330396) is (4S)-4-phenyl-1-[3-(pyridin-3-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]pentan-2-one.
What is the SMILES notation for (4S)-4-phenyl-1-[3-(pyridin-3-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]pentan-2-one?
The canonical SMILES for (4S)-4-phenyl-1-[3-(pyridin-3-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]pentan-2-one is C[C@@H](CC(=O)Cc1cc2[nH]nc(NCc3cccnc3)c2cn1)c1ccccc1.
What is the InChIKey of (4S)-4-phenyl-1-[3-(pyridin-3-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]pentan-2-one?
The InChIKey is DBNWVUMQAJTONH-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16(18-7-3-2-4-8-18)10-20(29)11-19-12-22-21(15-25-19)23(28-27-22)26-14-17-6-5-9-24-13-17/h2-9,12-13,15-16H,10-11,14H2,1H3,(H2,26,27,28)/t16-/m0/s1.
What are the key properties of (4S)-4-phenyl-1-[3-(pyridin-3-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]pentan-2-one?
(4S)-4-phenyl-1-[3-(pyridin-3-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]pentan-2-one has a molecular weight of 385.47 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-1-[3-(pyridin-3-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]pentan-2-one is sourced from PubChem (CID 147330396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).