CID 174022942

C24H26BN7O3 — CID 174022942

IUPAC—
SMILES[B]NCC1CCc2cc(-c3cnc(N)c(C(=O)Nc4cnccc4N4CCOCC4)n3)ccc2O1
InChIInChI=1S/C24H26BN7O3/c25-29-12-17-3-1-16-11-15(2-4-21(16)35-17)18-14-28-23(26)22(30-18)24(33)31-19-13-27-6-5-20(19)32-7-9-34-10-8-32/h2,4-6,11,13-14,17,29H,1,3,7-10,12H2,(H2,26,28)(H,31,33)
InChIKeyYRNOUOGUELVIBQ-UHFFFAOYSA-N
MW471.33 g/mol
LogP1.58
Rot. Bonds6

About CID 174022942

CID 174022942 (PubChem CID 174022942) has the molecular formula C24H26BN7O3 and a molecular weight of 471.33 g/mol.

Molecular Properties

Compound NameCID 174022942
PubChem CID174022942
Molecular FormulaC24H26BN7O3
Molecular Weight471.33 g/mol
Exact Mass471.22
IUPAC Name—
SMILES[B]NCC1CCc2cc(-c3cnc(N)c(C(=O)Nc4cnccc4N4CCOCC4)n3)ccc2O1
InChIInChI=1S/C24H26BN7O3/c25-29-12-17-3-1-16-11-15(2-4-21(16)35-17)18-14-28-23(26)22(30-18)24(33)31-19-13-27-6-5-20(19)32-7-9-34-10-8-32/h2,4-6,11,13-14,17,29H,1,3,7-10,12H2,(H2,26,28)(H,31,33)
InChIKeyYRNOUOGUELVIBQ-UHFFFAOYSA-N
XLogP1.58
TPSA127.52 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.33
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167710858
3-amino-6-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167697728
3-amino-6-[4-(aminomethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 137357434
CID 174022831
CID 174022831
3-amino-6-(4-iodo-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167178628
3-amino-6-[4-[(1-iodopiperidin-4-yl)-methylamino]phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167178633
CID 174022880
CID 174022880
tert-butyl 6-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 156743361
(3S,4R)-4-[4-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]pyrrolidine-3-carboxylic acid
CID 167178609
3-amino-6-[4-[[[(2S)-1-iodopyrrolidine-2-carbonyl]amino]methyl]phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167178568
1-[3-amino-6-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167679439
CID 174022933
CID 174022933

Frequently Asked Questions

What is the IUPAC name of CID 174022942?
The IUPAC name of CID 174022942 (CID 174022942) is not available.
What is the SMILES notation for CID 174022942?
The canonical SMILES for CID 174022942 is [B]NCC1CCc2cc(-c3cnc(N)c(C(=O)Nc4cnccc4N4CCOCC4)n3)ccc2O1.
What is the InChIKey of CID 174022942?
The InChIKey is YRNOUOGUELVIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BN7O3/c25-29-12-17-3-1-16-11-15(2-4-21(16)35-17)18-14-28-23(26)22(30-18)24(33)31-19-13-27-6-5-20(19)32-7-9-34-10-8-32/h2,4-6,11,13-14,17,29H,1,3,7-10,12H2,(H2,26,28)(H,31,33).
What are the key properties of CID 174022942?
CID 174022942 has a molecular weight of 471.33 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174022942 is sourced from PubChem (CID 174022942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).