N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine

C29H41F2N9O — CID 118164362

IUPACN-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESCN(C)C1CCN(CCN(c2nc(-c3cnc4ccc(F)cn34)nc(N3CCOCC3)c2F)[C@@H]2CCCNC2)CC1
InChIInChI=1S/C29H41F2N9O/c1-36(2)22-7-10-37(11-8-22)12-13-39(23-4-3-9-32-18-23)29-26(31)28(38-14-16-41-17-15-38)34-27(35-29)24-19-33-25-6-5-21(30)20-40(24)25/h5-6,19-20,22-23,32H,3-4,7-18H2,1-2H3/t23-/m1/s1
InChIKeyMAPJDHZQJKLCHU-HSZRJFAPSA-N
MW569.71 g/mol
LogP2.49
Rot. Bonds8

About N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine

N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine (PubChem CID 118164362) has the molecular formula C29H41F2N9O and a molecular weight of 569.71 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
PubChem CID118164362
Molecular FormulaC29H41F2N9O
Molecular Weight569.71 g/mol
Exact Mass569.34
IUPAC NameN-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine
SMILESCN(C)C1CCN(CCN(c2nc(-c3cnc4ccc(F)cn34)nc(N3CCOCC3)c2F)[C@@H]2CCCNC2)CC1
InChIInChI=1S/C29H41F2N9O/c1-36(2)22-7-10-37(11-8-22)12-13-39(23-4-3-9-32-18-23)29-26(31)28(38-14-16-41-17-15-38)34-27(35-29)24-19-33-25-6-5-21(30)20-40(24)25/h5-6,19-20,22-23,32H,3-4,7-18H2,1-2H3/t23-/m1/s1
InChIKeyMAPJDHZQJKLCHU-HSZRJFAPSA-N
XLogP2.49
TPSA77.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.71
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine (CID 118164362) is N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine is CN(C)C1CCN(CCN(c2nc(-c3cnc4ccc(F)cn34)nc(N3CCOCC3)c2F)[C@@H]2CCCNC2)CC1.
What is the InChIKey of N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is MAPJDHZQJKLCHU-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H41F2N9O/c1-36(2)22-7-10-37(11-8-22)12-13-39(23-4-3-9-32-18-23)29-26(31)28(38-14-16-41-17-15-38)34-27(35-29)24-19-33-25-6-5-21(30)20-40(24)25/h5-6,19-20,22-23,32H,3-4,7-18H2,1-2H3/t23-/m1/s1.
What are the key properties of N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine?
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 569.71 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-yl-N-[(3R)-piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 118164362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).