CID 174022880

C24H27BN8O2 — CID 174022880

IUPAC—
SMILES[B]N1CC[C@@H](Nc2ccc(-c3cnc(N)c(C(=O)Nc4cnccc4N4CCOCC4)n3)cc2)C1
InChIInChI=1S/C24H27BN8O2/c25-33-8-6-18(15-33)29-17-3-1-16(2-4-17)19-14-28-23(26)22(30-19)24(34)31-20-13-27-7-5-21(20)32-9-11-35-12-10-32/h1-5,7,13-14,18,29H,6,8-12,15H2,(H2,26,28)(H,31,34)/t18-/m1/s1
InChIKeyXRQSMVPUAGIGGZ-GOSISDBHSA-N
MW470.35 g/mol
LogP1.78
Rot. Bonds6

About CID 174022880

CID 174022880 (PubChem CID 174022880) has the molecular formula C24H27BN8O2 and a molecular weight of 470.35 g/mol.

Molecular Properties

Compound NameCID 174022880
PubChem CID174022880
Molecular FormulaC24H27BN8O2
Molecular Weight470.35 g/mol
Exact Mass470.24
IUPAC Name—
SMILES[B]N1CC[C@@H](Nc2ccc(-c3cnc(N)c(C(=O)Nc4cnccc4N4CCOCC4)n3)cc2)C1
InChIInChI=1S/C24H27BN8O2/c25-33-8-6-18(15-33)29-17-3-1-16(2-4-17)19-14-28-23(26)22(30-19)24(34)31-20-13-27-7-5-21(20)32-9-11-35-12-10-32/h1-5,7,13-14,18,29H,6,8-12,15H2,(H2,26,28)(H,31,34)/t18-/m1/s1
InChIKeyXRQSMVPUAGIGGZ-GOSISDBHSA-N
XLogP1.78
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.35
LogP ≤ 51.78
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-[4-(aminomethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 137357434
CID 174022831
CID 174022831
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
CID 174022942
CID 174022942
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-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
3-amino-6-(1-methoxy-2,3-dihydro-1H-inden-5-yl)-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167710858
CID 174022933
CID 174022933
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
3-amino-6-[4-(8-methyl-5-oxo-8-sulfanylnonan-2-yl)oxyphenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167567544

Frequently Asked Questions

What is the IUPAC name of CID 174022880?
The IUPAC name of CID 174022880 (CID 174022880) is not available.
What is the SMILES notation for CID 174022880?
The canonical SMILES for CID 174022880 is [B]N1CC[C@@H](Nc2ccc(-c3cnc(N)c(C(=O)Nc4cnccc4N4CCOCC4)n3)cc2)C1.
What is the InChIKey of CID 174022880?
The InChIKey is XRQSMVPUAGIGGZ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27BN8O2/c25-33-8-6-18(15-33)29-17-3-1-16(2-4-17)19-14-28-23(26)22(30-19)24(34)31-20-13-27-7-5-21(20)32-9-11-35-12-10-32/h1-5,7,13-14,18,29H,6,8-12,15H2,(H2,26,28)(H,31,34)/t18-/m1/s1.
What are the key properties of CID 174022880?
CID 174022880 has a molecular weight of 470.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174022880 is sourced from PubChem (CID 174022880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).