N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]-1H-pyrazol-5-amine

C25H30N8O3 — CID 57441991

IUPACN-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]-1H-pyrazol-5-amine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(CNc4ccn[nH]4)o3)nc2n1
InChIInChI=1S/C25H30N8O3/c1-16-14-34-11-9-32(16)24-19-4-5-20(21-6-3-18(36-21)13-26-22-7-8-27-31-22)28-23(19)29-25(30-24)33-10-12-35-15-17(33)2/h3-8,16-17H,9-15H2,1-2H3,(H2,26,27,31)/t16-,17-/m0/s1
InChIKeyUDHWKORROVDUFO-IRXDYDNUSA-N
MW490.57 g/mol
LogP3.07
Rot. Bonds6

About N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]-1H-pyrazol-5-amine

N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]-1H-pyrazol-5-amine (PubChem CID 57441991) has the molecular formula C25H30N8O3 and a molecular weight of 490.57 g/mol. Its IUPAC name is N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]-1H-pyrazol-5-amine
PubChem CID57441991
Molecular FormulaC25H30N8O3
Molecular Weight490.57 g/mol
Exact Mass490.24
IUPAC NameN-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]-1H-pyrazol-5-amine
SMILESC[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(CNc4ccn[nH]4)o3)nc2n1
InChIInChI=1S/C25H30N8O3/c1-16-14-34-11-9-32(16)24-19-4-5-20(21-6-3-18(36-21)13-26-22-7-8-27-31-22)28-23(19)29-25(30-24)33-10-12-35-15-17(33)2/h3-8,16-17H,9-15H2,1-2H3,(H2,26,27,31)/t16-,17-/m0/s1
InChIKeyUDHWKORROVDUFO-IRXDYDNUSA-N
XLogP3.07
TPSA117.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]-1H-pyrazol-5-amine?
The IUPAC name of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]-1H-pyrazol-5-amine (CID 57441991) is N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]-1H-pyrazol-5-amine.
What is the SMILES notation for N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]-1H-pyrazol-5-amine?
The canonical SMILES for N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]-1H-pyrazol-5-amine is C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(CNc4ccn[nH]4)o3)nc2n1.
What is the InChIKey of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]-1H-pyrazol-5-amine?
The InChIKey is UDHWKORROVDUFO-IRXDYDNUSA-N. The full InChI is InChI=1S/C25H30N8O3/c1-16-14-34-11-9-32(16)24-19-4-5-20(21-6-3-18(36-21)13-26-22-7-8-27-31-22)28-23(19)29-25(30-24)33-10-12-35-15-17(33)2/h3-8,16-17H,9-15H2,1-2H3,(H2,26,27,31)/t16-,17-/m0/s1.
What are the key properties of N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]-1H-pyrazol-5-amine?
N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]-1H-pyrazol-5-amine has a molecular weight of 490.57 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]furan-2-yl]methyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 57441991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).