N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[(dimethylamino)methyl]morpholin-4-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine

C26H31FN8O2 — CID 90147112

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[(dimethylamino)methyl]morpholin-4-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOC(CN(C)C)C4)n3)ccc2[nH]1
InChIInChI=1S/C26H31FN8O2/c1-15-10-18-19(28-15)6-7-21(25(18)27)37-26-30-22(29-23-11-20(32-33-23)16-4-5-16)12-24(31-26)35-8-9-36-17(14-35)13-34(2)3/h6-7,10-12,16-17,28H,4-5,8-9,13-14H2,1-3H3,(H2,29,30,31,32,33)
InChIKeyRDCJOQDMJCVLPT-UHFFFAOYSA-N
MW506.59 g/mol
LogP4.31
Rot. Bonds8

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[(dimethylamino)methyl]morpholin-4-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[(dimethylamino)methyl]morpholin-4-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine (PubChem CID 90147112) has the molecular formula C26H31FN8O2 and a molecular weight of 506.59 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[(dimethylamino)methyl]morpholin-4-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[(dimethylamino)methyl]morpholin-4-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
PubChem CID90147112
Molecular FormulaC26H31FN8O2
Molecular Weight506.59 g/mol
Exact Mass506.26
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[(dimethylamino)methyl]morpholin-4-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
SMILESCc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOC(CN(C)C)C4)n3)ccc2[nH]1
InChIInChI=1S/C26H31FN8O2/c1-15-10-18-19(28-15)6-7-21(25(18)27)37-26-30-22(29-23-11-20(32-33-23)16-4-5-16)12-24(31-26)35-8-9-36-17(14-35)13-34(2)3/h6-7,10-12,16-17,28H,4-5,8-9,13-14H2,1-3H3,(H2,29,30,31,32,33)
InChIKeyRDCJOQDMJCVLPT-UHFFFAOYSA-N
XLogP4.31
TPSA107.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.59
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[(dimethylamino)methyl]morpholin-4-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[(dimethylamino)methyl]morpholin-4-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine (CID 90147112) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[(dimethylamino)methyl]morpholin-4-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[(dimethylamino)methyl]morpholin-4-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[(dimethylamino)methyl]morpholin-4-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine is Cc1cc2c(F)c(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOC(CN(C)C)C4)n3)ccc2[nH]1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[(dimethylamino)methyl]morpholin-4-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
The InChIKey is RDCJOQDMJCVLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN8O2/c1-15-10-18-19(28-15)6-7-21(25(18)27)37-26-30-22(29-23-11-20(32-33-23)16-4-5-16)12-24(31-26)35-8-9-36-17(14-35)13-34(2)3/h6-7,10-12,16-17,28H,4-5,8-9,13-14H2,1-3H3,(H2,29,30,31,32,33).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[(dimethylamino)methyl]morpholin-4-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[(dimethylamino)methyl]morpholin-4-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine has a molecular weight of 506.59 g/mol, XLogP of 4.31, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[(dimethylamino)methyl]morpholin-4-yl]-2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 90147112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).