N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide

C27H26N8O — CID 11950701

IUPACN-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cccc(-c3nc(Nc4ccc5[nH]ncc5c4)c4ccccc4n3)c2)CC1
InChIInChI=1S/C27H26N8O/c1-34-11-13-35(14-12-34)27(36)30-20-6-4-5-18(15-20)25-31-24-8-3-2-7-22(24)26(32-25)29-21-9-10-23-19(16-21)17-28-33-23/h2-10,15-17H,11-14H2,1H3,(H,28,33)(H,30,36)(H,29,31,32)
InChIKeyFKGASPODRFALEE-UHFFFAOYSA-N
MW478.56 g/mol
LogP4.70
Rot. Bonds4

About N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide

N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide (PubChem CID 11950701) has the molecular formula C27H26N8O and a molecular weight of 478.56 g/mol. Its IUPAC name is N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide
PubChem CID11950701
Molecular FormulaC27H26N8O
Molecular Weight478.56 g/mol
Exact Mass478.22
IUPAC NameN-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cccc(-c3nc(Nc4ccc5[nH]ncc5c4)c4ccccc4n3)c2)CC1
InChIInChI=1S/C27H26N8O/c1-34-11-13-35(14-12-34)27(36)30-20-6-4-5-18(15-20)25-31-24-8-3-2-7-22(24)26(32-25)29-21-9-10-23-19(16-21)17-28-33-23/h2-10,15-17H,11-14H2,1H3,(H,28,33)(H,30,36)(H,29,31,32)
InChIKeyFKGASPODRFALEE-UHFFFAOYSA-N
XLogP4.70
TPSA102.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]morpholine-4-carboxamide
CID 59361906
ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide
CID 90856959
N-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine
CID 67135306
2-(dimethylamino)-N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide
CID 59361917
tert-butyl 3-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]anilino]-3-oxopropanoate
CID 141159376
N-[3-[4-[(1-methylindazol-5-yl)amino]quinazolin-2-yl]phenyl]morpholine-4-carboxamide
CID 163830669
[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl] butanoate
CID 59361940
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 11950170
ethyl (E)-3-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]prop-2-enoate
CID 162738751
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-prop-2-ynylacetamide
CID 11950700
2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine
CID 10156619
tert-butyl 5-[[2-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]quinazolin-4-yl]amino]indazole-1-carboxylate
CID 59361937

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide (CID 11950701) is N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2cccc(-c3nc(Nc4ccc5[nH]ncc5c4)c4ccccc4n3)c2)CC1.
What is the InChIKey of N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is FKGASPODRFALEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O/c1-34-11-13-35(14-12-34)27(36)30-20-6-4-5-18(15-20)25-31-24-8-3-2-7-22(24)26(32-25)29-21-9-10-23-19(16-21)17-28-33-23/h2-10,15-17H,11-14H2,1H3,(H,28,33)(H,30,36)(H,29,31,32).
What are the key properties of N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide?
N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 478.56 g/mol, XLogP of 4.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 11950701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).