CID 174022831

C23H26BN7O2 — CID 174022831

IUPAC—
SMILES[B]NCCCc1ccc(-c2cnc(N)c(C(=O)Nc3cnccc3N3CCOCC3)n2)cc1
InChIInChI=1S/C23H26BN7O2/c24-28-8-1-2-16-3-5-17(6-4-16)18-15-27-22(25)21(29-18)23(32)30-19-14-26-9-7-20(19)31-10-12-33-13-11-31/h3-7,9,14-15,28H,1-2,8,10-13H2,(H2,25,27)(H,30,32)
InChIKeyFCPSHSONBYZCPN-UHFFFAOYSA-N
MW443.32 g/mol
LogP1.82
Rot. Bonds8

About CID 174022831

CID 174022831 (PubChem CID 174022831) has the molecular formula C23H26BN7O2 and a molecular weight of 443.32 g/mol.

Molecular Properties

Compound NameCID 174022831
PubChem CID174022831
Molecular FormulaC23H26BN7O2
Molecular Weight443.32 g/mol
Exact Mass443.22
IUPAC Name—
SMILES[B]NCCCc1ccc(-c2cnc(N)c(C(=O)Nc3cnccc3N3CCOCC3)n2)cc1
InChIInChI=1S/C23H26BN7O2/c24-28-8-1-2-16-3-5-17(6-4-16)18-15-27-22(25)21(29-18)23(32)30-19-14-26-9-7-20(19)31-10-12-33-13-11-31/h3-7,9,14-15,28H,1-2,8,10-13H2,(H2,25,27)(H,30,32)
InChIKeyFCPSHSONBYZCPN-UHFFFAOYSA-N
XLogP1.82
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-amino-6-[4-(aminomethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 137357434
CID 174022880
CID 174022880
CID 174022942
CID 174022942
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-[[[(2S)-1-iodopyrrolidine-2-carbonyl]amino]methyl]phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167178568
1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167672209
3-amino-6-[4-[(1-iodopiperidin-4-yl)-methylamino]phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167178633
(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-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 167178690
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-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167710858
benzyl N-[2-[3-[5-amino-6-[(4-morpholin-4-yl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenoxy]ethyl]carbamate;ethane
CID 156743329

Frequently Asked Questions

What is the IUPAC name of CID 174022831?
The IUPAC name of CID 174022831 (CID 174022831) is not available.
What is the SMILES notation for CID 174022831?
The canonical SMILES for CID 174022831 is [B]NCCCc1ccc(-c2cnc(N)c(C(=O)Nc3cnccc3N3CCOCC3)n2)cc1.
What is the InChIKey of CID 174022831?
The InChIKey is FCPSHSONBYZCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BN7O2/c24-28-8-1-2-16-3-5-17(6-4-16)18-15-27-22(25)21(29-18)23(32)30-19-14-26-9-7-20(19)31-10-12-33-13-11-31/h3-7,9,14-15,28H,1-2,8,10-13H2,(H2,25,27)(H,30,32).
What are the key properties of CID 174022831?
CID 174022831 has a molecular weight of 443.32 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174022831 is sourced from PubChem (CID 174022831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).